(E)-N-(2-chloro-4-iodophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,3-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

C72H69Cl6IN4O4 — CID 158403590

IUPAC(E)-N-(2-chloro-4-iodophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,3-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2)cc1.CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cc1.CC(C)c1ccc(/C=C/C(=O)Nc2ccc(I)cc2Cl)cc1.CC(C)c1ccc(/C=C/C(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/2C18H17Cl2NO.C18H17ClINO.C18H18ClNO/c1-12(2)14-6-3-13(4-7-14)5-10-18(22)21-17-9-8-15(19)11-16(17)20;1-12(2)14-9-6-13(7-10-14)8-11-17(22)21-16-5-3-4-15(19)18(16)20;1-12(2)14-6-3-13(4-7-14)5-10-18(22)21-17-9-8-15(20)11-16(17)19;1-13(2)15-6-3-14(4-7-15)5-12-18(21)20-17-10-8-16(19)9-11-17/h3*3-12H,1-2H3,(H,21,22);3-13H,1-2H3,(H,20,21)/b10-5+;11-8+;10-5+;12-5+
InChIKeyGYKDCBQSFWLPDO-AQIDQRBRSA-N
MW1393.99 g/mol
LogP22.37
Rot. Bonds16

About (E)-N-(2-chloro-4-iodophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,3-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide

(E)-N-(2-chloro-4-iodophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,3-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (PubChem CID 158403590) has the molecular formula C72H69Cl6IN4O4 and a molecular weight of 1393.99 g/mol. Its IUPAC name is (E)-N-(2-chloro-4-iodophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,3-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chloro-4-iodophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,3-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
PubChem CID158403590
Molecular FormulaC72H69Cl6IN4O4
Molecular Weight1393.99 g/mol
Exact Mass1390.25
IUPAC Name(E)-N-(2-chloro-4-iodophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,3-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
SMILESCC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2)cc1.CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cc1.CC(C)c1ccc(/C=C/C(=O)Nc2ccc(I)cc2Cl)cc1.CC(C)c1ccc(/C=C/C(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/2C18H17Cl2NO.C18H17ClINO.C18H18ClNO/c1-12(2)14-6-3-13(4-7-14)5-10-18(22)21-17-9-8-15(19)11-16(17)20;1-12(2)14-9-6-13(7-10-14)8-11-17(22)21-16-5-3-4-15(19)18(16)20;1-12(2)14-6-3-13(4-7-14)5-10-18(22)21-17-9-8-15(20)11-16(17)19;1-13(2)15-6-3-14(4-7-15)5-12-18(21)20-17-10-8-16(19)9-11-17/h3*3-12H,1-2H3,(H,21,22);3-13H,1-2H3,(H,20,21)/b10-5+;11-8+;10-5+;12-5+
InChIKeyGYKDCBQSFWLPDO-AQIDQRBRSA-N
XLogP22.37
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001393.99
LogP ≤ 522.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(2-chloro-4-iodophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,3-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide with MolForge

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Related Compounds

N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
(E)-3-(4-aminophenyl)-N-(2-chloro-4-iodophenyl)prop-2-enamide
CID 115343128
(E)-3-(4-chlorophenyl)-N-(4-iodophenyl)prop-2-enamide
CID 1179042
(E)-N-(3-chloro-2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 792205
(E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31244745
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
N-(2-chloro-4-iodophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 1371343
(E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 1290272
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409
N-(2-methylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4667675
(E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 785785
(E)-N-(4-iodo-2,5-dimethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22777167

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chloro-4-iodophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,3-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-chloro-4-iodophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,3-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide (CID 158403590) is (E)-N-(2-chloro-4-iodophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,3-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-chloro-4-iodophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,3-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-chloro-4-iodophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,3-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2)cc1.CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2Cl)cc1.CC(C)c1ccc(/C=C/C(=O)Nc2ccc(I)cc2Cl)cc1.CC(C)c1ccc(/C=C/C(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of (E)-N-(2-chloro-4-iodophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,3-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is GYKDCBQSFWLPDO-AQIDQRBRSA-N. The full InChI is InChI=1S/2C18H17Cl2NO.C18H17ClINO.C18H18ClNO/c1-12(2)14-6-3-13(4-7-14)5-10-18(22)21-17-9-8-15(19)11-16(17)20;1-12(2)14-9-6-13(7-10-14)8-11-17(22)21-16-5-3-4-15(19)18(16)20;1-12(2)14-6-3-13(4-7-14)5-10-18(22)21-17-9-8-15(20)11-16(17)19;1-13(2)15-6-3-14(4-7-15)5-12-18(21)20-17-10-8-16(19)9-11-17/h3*3-12H,1-2H3,(H,21,22);3-13H,1-2H3,(H,20,21)/b10-5+;11-8+;10-5+;12-5+.
What are the key properties of (E)-N-(2-chloro-4-iodophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,3-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide?
(E)-N-(2-chloro-4-iodophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,3-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 1393.99 g/mol, XLogP of 22.37, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chloro-4-iodophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,3-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide;(E)-N-(2,4-dichlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 158403590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).