(Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide

C17H15ClN2O2 — CID 21226623

IUPAC(Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-12(21)19-16(11-13-7-3-2-4-8-13)17(22)20-15-10-6-5-9-14(15)18/h2-11H,1H3,(H,19,21)(H,20,22)/b16-11-
InChIKeyGGHLBQORJDBABO-WJDWOHSUSA-N
MW314.77 g/mol
LogP3.46
Rot. Bonds4

About (Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide

(Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide (PubChem CID 21226623) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is (Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide
PubChem CID21226623
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name(Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide
SMILESCC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-12(21)19-16(11-13-7-3-2-4-8-13)17(22)20-15-10-6-5-9-14(15)18/h2-11H,1H3,(H,19,21)(H,20,22)/b16-11-
InChIKeyGGHLBQORJDBABO-WJDWOHSUSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.46
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

2-acetamido-N-(2-hydroxyphenyl)-3-phenylprop-2-enamide
CID 4947897
2-[(2-acetamido-3-phenylprop-2-enoyl)amino]benzoic acid
CID 139795518
2-acetamido-N-(4-acetamidophenyl)-3-phenylprop-2-enamide
CID 3527723
2-acetamido-N-(3-chloro-4-fluorophenyl)-3-phenylprop-2-enamide
CID 4947913
2-acetamido-N-(2-hydroxy-5-methylphenyl)-3-phenylprop-2-enamide
CID 4947896
(Z)-2-acetamido-3-phenyl-N-(2-phenylmethoxyphenyl)prop-2-enamide
CID 17093528
N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)acetamide
CID 53412410
(Z)-2-acetamido-3-phenyl-N-(4-phenylphenyl)prop-2-enamide
CID 9206311
N-[(Z)-3-(2,2-dimethylhydrazinyl)-3-oxo-1-phenylprop-1-en-2-yl]acetamide
CID 9163961
(Z)-2-acetamido-N-(4-methoxyphenyl)-3-phenylprop-2-enamide
CID 5371270
(Z)-2-acetamido-N-(3-hydroxyphenyl)-3-phenylprop-2-enamide
CID 6537620
4-(2-chloroanilino)-3-methyl-4-oxobut-2-enoic acid
CID 5056060

Frequently Asked Questions

What is the IUPAC name of (Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide?
The IUPAC name of (Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide (CID 21226623) is (Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide is CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide?
The InChIKey is GGHLBQORJDBABO-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-12(21)19-16(11-13-7-3-2-4-8-13)17(22)20-15-10-6-5-9-14(15)18/h2-11H,1H3,(H,19,21)(H,20,22)/b16-11-.
What are the key properties of (Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide?
(Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide has a molecular weight of 314.77 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-acetamido-N-(2-chlorophenyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 21226623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).