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

C16H20ClNO3 — CID 61294678

IUPAC1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)Cc1ccccc1Cl)C(=O)O
InChIInChI=1S/C16H20ClNO3/c1-11-6-4-5-9-16(11,15(20)21)18-14(19)10-12-7-2-3-8-13(12)17/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyCJEAEELQKJBALY-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.03
Rot. Bonds4

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

1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 61294678) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID61294678
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)Cc1ccccc1Cl)C(=O)O
InChIInChI=1S/C16H20ClNO3/c1-11-6-4-5-9-16(11,15(20)21)18-14(19)10-12-7-2-3-8-13(12)17/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyCJEAEELQKJBALY-UHFFFAOYSA-N
XLogP3.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(benzylcarbamoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 16788652
1-[[[2-(2-chlorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362454
1-[(2-methoxyacetyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61295410
1-[(3-chloropyridine-4-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 66463581
1-[(4-chloro-3-fluorobenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 107997812
1-[(6-chloropyridine-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 62239913
2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
CID 51166113
1-(3-methoxypropanoylamino)-2-methylcyclohexane-1-carboxylic acid
CID 62590402
1-(benzylamino)-2-methylcyclopentane-1-carboxylic acid
CID 65045391
1-acetamido-2-methylcyclohexane-1-carboxylic acid
CID 61292640
1-[(4-iodobenzoyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294307
1-(4-chloroanilino)-2-methylcyclohexane-1-carboxylic acid
CID 60994323

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid (CID 61294678) is 1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid is CC1CCCCC1(NC(=O)Cc1ccccc1Cl)C(=O)O.
What is the InChIKey of 1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is CJEAEELQKJBALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO3/c1-11-6-4-5-9-16(11,15(20)21)18-14(19)10-12-7-2-3-8-13(12)17/h2-3,7-8,11H,4-6,9-10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid?
1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 309.79 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-chlorophenyl)acetyl]amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61294678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).