1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid

C16H20ClNO4 — CID 22327477

IUPAC1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1C(Cl)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H20ClNO4/c1-22-12-8-4-3-7-11(12)13(17)14(19)18-16(15(20)21)9-5-2-6-10-16/h3-4,7-8,13H,2,5-6,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyATSJILBUXRLUNU-UHFFFAOYSA-N
MW325.79 g/mol
LogP2.88
Rot. Bonds5

About 1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid

1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 22327477) has the molecular formula C16H20ClNO4 and a molecular weight of 325.79 g/mol. Its IUPAC name is 1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID22327477
Molecular FormulaC16H20ClNO4
Molecular Weight325.79 g/mol
Exact Mass325.11
IUPAC Name1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1ccccc1C(Cl)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H20ClNO4/c1-22-12-8-4-3-7-11(12)13(17)14(19)18-16(15(20)21)9-5-2-6-10-16/h3-4,7-8,13H,2,5-6,9-10H2,1H3,(H,18,19)(H,20,21)
InChIKeyATSJILBUXRLUNU-UHFFFAOYSA-N
XLogP2.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-2-(2-methoxyphenyl)-N-propan-2-ylacetamide
CID 62224229
1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 65433406
1-[(2-methoxy-2-phenylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81158771
1-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 45427653
1-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120666403
1-[2-(2-methoxyphenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 106261987
1-(2-phenylmethoxypropanoylamino)cyclohexane-1-carboxylic acid
CID 69315148
N-tert-butyl-2-chloro-2-(2-methoxyphenyl)acetamide
CID 62224063
1-[[2-chloro-2-(2-fluorophenyl)acetyl]amino]-4-phenylcyclohexane-1-carboxylic acid
CID 22904417
1-[2-(2-fluorophenoxy)butanoylamino]cyclohexane-1-carboxylic acid
CID 119168045
methyl 1-[[2-chloro-2-(4-methoxyphenyl)acetyl]amino]cyclopentane-1-carboxylate
CID 22327445
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 22327477) is 1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid is COc1ccccc1C(Cl)C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is ATSJILBUXRLUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO4/c1-22-12-8-4-3-7-11(12)13(17)14(19)18-16(15(20)21)9-5-2-6-10-16/h3-4,7-8,13H,2,5-6,9-10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 325.79 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22327477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).