(Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

C18H17ClINO4 — CID 22301745

IUPAC(Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C\C(=O)Nc2ccc(I)c(Cl)c2)c(OC)c1OC
InChIInChI=1S/C18H17ClINO4/c1-23-15-8-4-11(17(24-2)18(15)25-3)5-9-16(22)21-12-6-7-14(20)13(19)10-12/h4-10H,1-3H3,(H,21,22)/b9-5-
InChIKeyCOJULQHSSHTMTE-UITAMQMPSA-N
MW473.69 g/mol
LogP4.62
Rot. Bonds6

About (Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

(Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (PubChem CID 22301745) has the molecular formula C18H17ClINO4 and a molecular weight of 473.69 g/mol. Its IUPAC name is (Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
PubChem CID22301745
Molecular FormulaC18H17ClINO4
Molecular Weight473.69 g/mol
Exact Mass472.99
IUPAC Name(Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C\C(=O)Nc2ccc(I)c(Cl)c2)c(OC)c1OC
InChIInChI=1S/C18H17ClINO4/c1-23-15-8-4-11(17(24-2)18(15)25-3)5-9-16(22)21-12-6-7-14(20)13(19)10-12/h4-10H,1-3H3,(H,21,22)/b9-5-
InChIKeyCOJULQHSSHTMTE-UITAMQMPSA-N
XLogP4.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.69
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3285237
(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2590853
N-[4-(dimethylamino)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3794891
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3559245
(E)-N-[4-(trifluoromethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 126415125
N-(3-chloro-4-methoxyphenyl)-3-(3,5-dibromo-2-methoxyphenyl)prop-2-enamide
CID 1116383
(E)-N-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 2590710
(E)-3-(5-bromo-2-methoxyphenyl)-N-(3-chloro-4-methoxyphenyl)prop-2-enamide
CID 1116370
(E)-3-(2,3-dimethoxyphenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928435
(E)-N-(3-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2665177
(E)-3-(2,3-dimethoxyphenyl)-N-(4-iodophenyl)prop-2-enamide
CID 2677492
N-(2,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4015229

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide (CID 22301745) is (Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C\C(=O)Nc2ccc(I)c(Cl)c2)c(OC)c1OC.
What is the InChIKey of (Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
The InChIKey is COJULQHSSHTMTE-UITAMQMPSA-N. The full InChI is InChI=1S/C18H17ClINO4/c1-23-15-8-4-11(17(24-2)18(15)25-3)5-9-16(22)21-12-6-7-14(20)13(19)10-12/h4-10H,1-3H3,(H,21,22)/b9-5-.
What are the key properties of (Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide?
(Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide has a molecular weight of 473.69 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-chloro-4-iodophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 22301745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).