2-(2-acetyl-3-chloroanilino)-N-methylcyclopentane-1-carboxamide

C15H19ClN2O2 — CID 127266737

IUPAC2-(2-acetyl-3-chloroanilino)-N-methylcyclopentane-1-carboxamide
SMILESCNC(=O)C1CCCC1Nc1cccc(Cl)c1C(C)=O
InChIInChI=1S/C15H19ClN2O2/c1-9(19)14-11(16)6-4-8-13(14)18-12-7-3-5-10(12)15(20)17-2/h4,6,8,10,12,18H,3,5,7H2,1-2H3,(H,17,20)
InChIKeyRCTPWXWWYFRFAE-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.87
Rot. Bonds4

About 2-(2-acetyl-3-chloroanilino)-N-methylcyclopentane-1-carboxamide

2-(2-acetyl-3-chloroanilino)-N-methylcyclopentane-1-carboxamide (PubChem CID 127266737) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(2-acetyl-3-chloroanilino)-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-(2-acetyl-3-chloroanilino)-N-methylcyclopentane-1-carboxamide
PubChem CID127266737
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-(2-acetyl-3-chloroanilino)-N-methylcyclopentane-1-carboxamide
SMILESCNC(=O)C1CCCC1Nc1cccc(Cl)c1C(C)=O
InChIInChI=1S/C15H19ClN2O2/c1-9(19)14-11(16)6-4-8-13(14)18-12-7-3-5-10(12)15(20)17-2/h4,6,8,10,12,18H,3,5,7H2,1-2H3,(H,17,20)
InChIKeyRCTPWXWWYFRFAE-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-Chlorophenyl)-2-oxoethyl]amino]benzamide
CID 2796987
2-(2-Acetylanilino)-2-(2,6-dichlorophenyl)acetamide
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2-{[3-(2,4-Dichlorophenyl)-3-oxo-1-propen-1-yl]amino}benzamide
CID 2190777
2-chloro-N-[(2S)-1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2452785
N-benzyl-2-[(2-chlorobenzoyl)-methylamino]benzamide
CID 2989826
N-[4-(2-acetylanilino)-4-oxobutyl]-4-chlorobenzamide
CID 4827116
2-[[2-[1-(2-chlorophenyl)ethylamino]acetyl]amino]-N-cyclopropylbenzamide
CID 16293024
N-[3-(3-acetylanilino)-3-oxopropyl]-2-chlorobenzamide
CID 2482653
N-[3-(4-acetylanilino)-3-oxopropyl]-2-chlorobenzamide
CID 2492016
Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-(cyclopentylamino)-N-methyl-, monohydrochloride
CID 3058807
2-amino-4-chloro-N-ethylbenzamide
CID 16778301
2-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 1250718

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-3-chloroanilino)-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-(2-acetyl-3-chloroanilino)-N-methylcyclopentane-1-carboxamide (CID 127266737) is 2-(2-acetyl-3-chloroanilino)-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-(2-acetyl-3-chloroanilino)-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-(2-acetyl-3-chloroanilino)-N-methylcyclopentane-1-carboxamide is CNC(=O)C1CCCC1Nc1cccc(Cl)c1C(C)=O.
What is the InChIKey of 2-(2-acetyl-3-chloroanilino)-N-methylcyclopentane-1-carboxamide?
The InChIKey is RCTPWXWWYFRFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-9(19)14-11(16)6-4-8-13(14)18-12-7-3-5-10(12)15(20)17-2/h4,6,8,10,12,18H,3,5,7H2,1-2H3,(H,17,20).
What are the key properties of 2-(2-acetyl-3-chloroanilino)-N-methylcyclopentane-1-carboxamide?
2-(2-acetyl-3-chloroanilino)-N-methylcyclopentane-1-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-3-chloroanilino)-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 127266737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).