(E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide

C18H17ClN2O2 — CID 798804

IUPAC(E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
SMILESCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN2O2/c1-2-17(22)20-15-8-10-16(11-9-15)21-18(23)12-5-13-3-6-14(19)7-4-13/h3-12H,2H2,1H3,(H,20,22)(H,21,23)/b12-5+
InChIKeyAWKFGDYZKZTOKH-LFYBBSHMSA-N
MW328.80 g/mol
LogP4.34
Rot. Bonds5

About (E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide (PubChem CID 798804) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
PubChem CID798804
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name(E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
SMILESCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClN2O2/c1-2-17(22)20-15-8-10-16(11-9-15)21-18(23)12-5-13-3-6-14(19)7-4-13/h3-12H,2H2,1H3,(H,20,22)(H,21,23)/b12-5+
InChIKeyAWKFGDYZKZTOKH-LFYBBSHMSA-N
XLogP4.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzamide, N-(4-chlorophenyl)-
CID 96646
N-(3-Chlorophenyl)benzamide
CID 95833
N-(4'-chloro-(1,1'-biphenyl)-2-yl)-2-hydroxypyridine-3-carboxamide
CID 132933455
N-(4-Amino-2-chloro-5-methylphenyl)benzamide
CID 67133
N1-phenyl-3-(2-chlorophenyl)acrylamide
CID 737170
7-Chloro-4-methylcarbostyril
CID 75680
4-chloro-N-(3-chlorophenyl)benzamide
CID 346674
4-Chloro-M-benzotoluidide
CID 348519
N-(2-Chloro-5-methylphenyl)acetamide
CID 364844
N-(4-Aminophenyl)-4-chlorobenzamide
CID 960654
(2E)-N-(3-chlorophenyl)-3-phenylprop-2-enamide
CID 677915
N-(2-Chlorophenyl)cinnamamide
CID 765318

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide (CID 798804) is (E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide is CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide?
The InChIKey is AWKFGDYZKZTOKH-LFYBBSHMSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-2-17(22)20-15-8-10-16(11-9-15)21-18(23)12-5-13-3-6-14(19)7-4-13/h3-12H,2H2,1H3,(H,20,22)(H,21,23)/b12-5+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide has a molecular weight of 328.80 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 798804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).