2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid

C17H22ClNO3 — CID 120532932

IUPAC2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid
SMILESCc1cccc(C(=O)NC2CCCCCCC2C(=O)O)c1Cl
InChIInChI=1S/C17H22ClNO3/c1-11-7-6-9-13(15(11)18)16(20)19-14-10-5-3-2-4-8-12(14)17(21)22/h6-7,9,12,14H,2-5,8,10H2,1H3,(H,19,20)(H,21,22)
InChIKeyOYTWGJLZRYSGNM-UHFFFAOYSA-N
MW323.82 g/mol
LogP3.80
Rot. Bonds3

About 2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid

2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid (PubChem CID 120532932) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid
PubChem CID120532932
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid
SMILESCc1cccc(C(=O)NC2CCCCCCC2C(=O)O)c1Cl
InChIInChI=1S/C17H22ClNO3/c1-11-7-6-9-13(15(11)18)16(20)19-14-10-5-3-2-4-8-12(14)17(21)22/h6-7,9,12,14H,2-5,8,10H2,1H3,(H,19,20)(H,21,22)
InChIKeyOYTWGJLZRYSGNM-UHFFFAOYSA-N
XLogP3.80
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3-dichlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 64813494
2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82809247
2-[(2-bromo-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106703293
2-[(2,3-dihydroxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 114343415
2-methyl-N-[(1S,2S)-2-[(2-methylbenzoyl)amino]cyclohexyl]benzamide
CID 979091
2-[(2-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813949
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide
CID 113339330
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64812501
cis-(1R,2S)-2-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161349
2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814568
2-chloro-N-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-methylbenzamide
CID 109399464

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid?
The IUPAC name of 2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid (CID 120532932) is 2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid?
The canonical SMILES for 2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid is Cc1cccc(C(=O)NC2CCCCCCC2C(=O)O)c1Cl.
What is the InChIKey of 2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid?
The InChIKey is OYTWGJLZRYSGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO3/c1-11-7-6-9-13(15(11)18)16(20)19-14-10-5-3-2-4-8-12(14)17(21)22/h6-7,9,12,14H,2-5,8,10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid?
2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid has a molecular weight of 323.82 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-methylbenzoyl)amino]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 120532932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).