2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid

C15H18ClNO3 — CID 64813756

IUPAC2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1cccc(Cl)c1)NC1CCCCC1C(=O)O
InChIInChI=1S/C15H18ClNO3/c16-11-5-3-4-10(8-11)9-14(18)17-13-7-2-1-6-12(13)15(19)20/h3-5,8,12-13H,1-2,6-7,9H2,(H,17,18)(H,19,20)
InChIKeySCLMMERHEKIZNC-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.64
Rot. Bonds4

About 2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid

2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 64813756) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID64813756
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1cccc(Cl)c1)NC1CCCCC1C(=O)O
InChIInChI=1S/C15H18ClNO3/c16-11-5-3-4-10(8-11)9-14(18)17-13-7-2-1-6-12(13)15(19)20/h3-5,8,12-13H,1-2,6-7,9H2,(H,17,18)(H,19,20)
InChIKeySCLMMERHEKIZNC-UHFFFAOYSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(chloromethyl)cyclopentyl]-2-(3-chlorophenyl)acetamide
CID 114179367
2-[[2-(3,4-difluorophenyl)acetyl]amino]cyclooctane-1-carboxylic acid
CID 120532973
2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64818167
2-[3-(3-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 64814516
cis-(1S,2R)-2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 898467
2-[[2-(2-chlorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64812051
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
2-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
trans-(1R,2R)-2-[[2-(4-fluorophenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 97161392
2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 64813919
2-[(2-phenylmethoxyacetyl)amino]cyclohexane-1-carboxylic acid
CID 18417096
2-[(3-chlorophenyl)methyl-methylamino]cycloheptane-1-carboxylic acid
CID 63069357

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 64813756) is 2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(Cc1cccc(Cl)c1)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is SCLMMERHEKIZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-11-5-3-4-10(8-11)9-14(18)17-13-7-2-1-6-12(13)15(19)20/h3-5,8,12-13H,1-2,6-7,9H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 295.77 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-chlorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64813756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).