1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid

C15H17ClFNO3 — CID 43163129

IUPAC1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)c2c(F)cccc2Cl)(C(=O)O)CC1
InChIInChI=1S/C15H17ClFNO3/c1-9-5-7-15(8-6-9,14(20)21)18-13(19)12-10(16)3-2-4-11(12)17/h2-4,9H,5-8H2,1H3,(H,18,19)(H,20,21)
InChIKeyUUIMTXTXHJYGHZ-UHFFFAOYSA-N
MW313.76 g/mol
LogP3.24
Rot. Bonds3

About 1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid

1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 43163129) has the molecular formula C15H17ClFNO3 and a molecular weight of 313.76 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID43163129
Molecular FormulaC15H17ClFNO3
Molecular Weight313.76 g/mol
Exact Mass313.09
IUPAC Name1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)c2c(F)cccc2Cl)(C(=O)O)CC1
InChIInChI=1S/C15H17ClFNO3/c1-9-5-7-15(8-6-9,14(20)21)18-13(19)12-10(16)3-2-4-11(12)17/h2-4,9H,5-8H2,1H3,(H,18,19)(H,20,21)
InChIKeyUUIMTXTXHJYGHZ-UHFFFAOYSA-N
XLogP3.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-difluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43162964
1-[(3-chloropyridine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 66462007
2-chloro-6-fluoro-N-(1-phenylcyclopentyl)benzamide
CID 110445807
1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 65433406
4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 43341470
1-[(2-hydroxy-3-methylbenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341402
1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 81266250
4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341398
1-[(4-methoxybenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43341477
2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide
CID 110445814
2-chloro-N-(4-cyano-1-methylpiperidin-4-yl)-6-fluorobenzamide
CID 61124140
2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)-6-fluorobenzamide
CID 52992747

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid (CID 43163129) is 1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid is CC1CCC(NC(=O)c2c(F)cccc2Cl)(C(=O)O)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is UUIMTXTXHJYGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO3/c1-9-5-7-15(8-6-9,14(20)21)18-13(19)12-10(16)3-2-4-11(12)17/h2-4,9H,5-8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid?
1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 313.76 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 43163129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).