2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide

C16H21ClN2O2 — CID 51272169

IUPAC2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide
SMILESCC(=O)NC(C(=O)Nc1ccc(Cl)cc1C)C1CCCC1
InChIInChI=1S/C16H21ClN2O2/c1-10-9-13(17)7-8-14(10)19-16(21)15(18-11(2)20)12-5-3-4-6-12/h7-9,12,15H,3-6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOBPIWOBWPDYTAS-UHFFFAOYSA-N
MW308.81 g/mol
LogP3.28
Rot. Bonds4

About 2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide

2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide (PubChem CID 51272169) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide.

Molecular Properties

Compound Name2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide
PubChem CID51272169
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide
SMILESCC(=O)NC(C(=O)Nc1ccc(Cl)cc1C)C1CCCC1
InChIInChI=1S/C16H21ClN2O2/c1-10-9-13(17)7-8-14(10)19-16(21)15(18-11(2)20)12-5-3-4-6-12/h7-9,12,15H,3-6H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyOBPIWOBWPDYTAS-UHFFFAOYSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-N-(5-chloro-2-methylphenyl)-2-cyclopentylacetamide
CID 51272260
(2S)-2-acetamido-2-cyclopentyl-N-(2,4-dimethylphenyl)acetamide
CID 51562307
2-acetamido-N-(2-chlorophenyl)-2-cyclopentylacetamide
CID 42885299
2-acetamido-2-cyclopentyl-N-(2,3-dichlorophenyl)acetamide
CID 51272483
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743
N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 55776993
N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
CID 103605147
2-acetamido-2-cyclopentyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 17448058
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-cyclooctylazanium
CID 9265532
3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide
CID 86982911
N-(4-chloro-2-methylphenyl)-2-ethylbutanamide
CID 882107

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide?
The IUPAC name of 2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide (CID 51272169) is 2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide.
What is the SMILES notation for 2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide?
The canonical SMILES for 2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide is CC(=O)NC(C(=O)Nc1ccc(Cl)cc1C)C1CCCC1.
What is the InChIKey of 2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide?
The InChIKey is OBPIWOBWPDYTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-10-9-13(17)7-8-14(10)19-16(21)15(18-11(2)20)12-5-3-4-6-12/h7-9,12,15H,3-6H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide?
2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide has a molecular weight of 308.81 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide is sourced from PubChem (CID 51272169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).