2-chloro-N-(3-methylphenyl)acetamide;N-cyclopentylformamide

C15H21ClN2O2 — CID 164603608

IUPAC2-chloro-N-(3-methylphenyl)acetamide;N-cyclopentylformamide
SMILESCc1cccc(NC(=O)CCl)c1.O=CNC1CCCC1
InChIInChI=1S/C9H10ClNO.C6H11NO/c1-7-3-2-4-8(5-7)11-9(12)6-10;8-5-7-6-3-1-2-4-6/h2-5H,6H2,1H3,(H,11,12);5-6H,1-4H2,(H,7,8)
InChIKeyAUAVDJWBOPUTMT-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.85
Rot. Bonds4

About 2-chloro-N-(3-methylphenyl)acetamide;N-cyclopentylformamide

2-chloro-N-(3-methylphenyl)acetamide;N-cyclopentylformamide (PubChem CID 164603608) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-N-(3-methylphenyl)acetamide;N-cyclopentylformamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylphenyl)acetamide;N-cyclopentylformamide
PubChem CID164603608
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-chloro-N-(3-methylphenyl)acetamide;N-cyclopentylformamide
SMILESCc1cccc(NC(=O)CCl)c1.O=CNC1CCCC1
InChIInChI=1S/C9H10ClNO.C6H11NO/c1-7-3-2-4-8(5-7)11-9(12)6-10;8-5-7-6-3-1-2-4-6/h2-5H,6H2,1H3,(H,11,12);5-6H,1-4H2,(H,7,8)
InChIKeyAUAVDJWBOPUTMT-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyclopentylethylamino)-N-(3-methylphenyl)acetamide
CID 54932599
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
(Z)-2-cyano-3-(cyclopentylamino)-N-(3-methylphenyl)prop-2-enamide
CID 108858510
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(3-methylphenyl)acetamide
CID 155981782
N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810258
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
2-[(3-ethylcyclohexyl)amino]-N-(3-methylphenyl)acetamide
CID 64742409
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
2-[(4-ethylcyclohexyl)methylamino]-N-(3-methylphenyl)acetamide
CID 60972732
1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146142

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylphenyl)acetamide;N-cyclopentylformamide?
The IUPAC name of 2-chloro-N-(3-methylphenyl)acetamide;N-cyclopentylformamide (CID 164603608) is 2-chloro-N-(3-methylphenyl)acetamide;N-cyclopentylformamide.
What is the SMILES notation for 2-chloro-N-(3-methylphenyl)acetamide;N-cyclopentylformamide?
The canonical SMILES for 2-chloro-N-(3-methylphenyl)acetamide;N-cyclopentylformamide is Cc1cccc(NC(=O)CCl)c1.O=CNC1CCCC1.
What is the InChIKey of 2-chloro-N-(3-methylphenyl)acetamide;N-cyclopentylformamide?
The InChIKey is AUAVDJWBOPUTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO.C6H11NO/c1-7-3-2-4-8(5-7)11-9(12)6-10;8-5-7-6-3-1-2-4-6/h2-5H,6H2,1H3,(H,11,12);5-6H,1-4H2,(H,7,8).
What are the key properties of 2-chloro-N-(3-methylphenyl)acetamide;N-cyclopentylformamide?
2-chloro-N-(3-methylphenyl)acetamide;N-cyclopentylformamide has a molecular weight of 296.80 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylphenyl)acetamide;N-cyclopentylformamide is sourced from PubChem (CID 164603608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).