(E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide

C19H17ClN2O2 — CID 178187837

IUPAC(E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H17ClN2O2/c20-15-7-9-17(10-8-15)22-13-16(12-19(22)24)21-18(23)11-6-14-4-2-1-3-5-14/h1-11,16H,12-13H2,(H,21,23)/b11-6+
InChIKeyCWYUZSXQWKXSNW-IZZDOVSWSA-N
MW340.81 g/mol
LogP3.27
Rot. Bonds4

About (E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide

(E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide (PubChem CID 178187837) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is (E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
PubChem CID178187837
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name(E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C19H17ClN2O2/c20-15-7-9-17(10-8-15)22-13-16(12-19(22)24)21-18(23)11-6-14-4-2-1-3-5-14/h1-11,16H,12-13H2,(H,21,23)/b11-6+
InChIKeyCWYUZSXQWKXSNW-IZZDOVSWSA-N
XLogP3.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.27
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

(Z)-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 7547805
(Z)-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 7563894
(Z)-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 7255727
(Z)-3-(1,3-benzodioxol-5-yl)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide
CID 7255555
(Z)-N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-phenylprop-2-enamide
CID 16918871
(E)-N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide
CID 95985178
1-benzhydryl-3-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7549026
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(4-phenylphenyl)acetamide
CID 43971255
(Z)-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 7255516
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 7215893
(Z)-3-(3,4-dimethoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide
CID 7255249
(E)-3-(3,4-dimethoxyphenyl)-N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]prop-2-enamide
CID 178187305

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide (CID 178187837) is (E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NC1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of (E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
The InChIKey is CWYUZSXQWKXSNW-IZZDOVSWSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c20-15-7-9-17(10-8-15)22-13-16(12-19(22)24)21-18(23)11-6-14-4-2-1-3-5-14/h1-11,16H,12-13H2,(H,21,23)/b11-6+.
What are the key properties of (E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide?
(E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide has a molecular weight of 340.81 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 178187837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).