(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide

C18H18ClNO2 — CID 17195487

IUPAC(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO2/c1-2-13-22-17-10-8-16(9-11-17)20-18(21)12-5-14-3-6-15(19)7-4-14/h3-12H,2,13H2,1H3,(H,20,21)/b12-5+
InChIKeyXFFFABBDVDOLMW-LFYBBSHMSA-N
MW315.80 g/mol
LogP4.78
Rot. Bonds6

About (E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide (PubChem CID 17195487) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
PubChem CID17195487
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO2/c1-2-13-22-17-10-8-16(9-11-17)20-18(21)12-5-14-3-6-15(19)7-4-14/h3-12H,2,13H2,1H3,(H,20,21)/b12-5+
InChIKeyXFFFABBDVDOLMW-LFYBBSHMSA-N
XLogP4.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
3-(4-fluorophenyl)-N-(4-propoxyphenyl)prop-2-enamide
CID 4943064
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684
methyl 4-[3-(4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 3535563
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 4939379
(E)-N-(4-chlorophenyl)-3-[4-(cyanomethoxy)phenyl]prop-2-enamide
CID 26581088
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131
(E)-N-(4-butoxyphenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 17186941
3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 4088773

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide (CID 17195487) is (E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide?
The InChIKey is XFFFABBDVDOLMW-LFYBBSHMSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-2-13-22-17-10-8-16(9-11-17)20-18(21)12-5-14-3-6-15(19)7-4-14/h3-12H,2,13H2,1H3,(H,20,21)/b12-5+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide has a molecular weight of 315.80 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 17195487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).