4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid

C21H22FNO3 — CID 119230033

IUPAC4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)NC3CCC(C(=O)O)CC3)c(F)c2)cc1
InChIInChI=1S/C21H22FNO3/c1-13-2-4-14(5-3-13)16-8-11-18(19(22)12-16)20(24)23-17-9-6-15(7-10-17)21(25)26/h2-5,8,11-12,15,17H,6-7,9-10H2,1H3,(H,23,24)(H,25,26)
InChIKeyBHUPGLBTAYWUBA-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.17
Rot. Bonds4

About 4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid

4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119230033) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is 4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119230033
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(-c2ccc(C(=O)NC3CCC(C(=O)O)CC3)c(F)c2)cc1
InChIInChI=1S/C21H22FNO3/c1-13-2-4-14(5-3-13)16-8-11-18(19(22)12-16)20(24)23-17-9-6-15(7-10-17)21(25)26/h2-5,8,11-12,15,17H,6-7,9-10H2,1H3,(H,23,24)(H,25,26)
InChIKeyBHUPGLBTAYWUBA-UHFFFAOYSA-N
XLogP4.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide
CID 120601621
N-(4-aminocyclohexyl)-2-fluoro-4-(4-fluorophenyl)benzamide;hydrochloride
CID 119475380
cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114173210
4-(3,4-dimethylphenyl)-2-fluoro-N-piperidin-4-ylbenzamide
CID 119388030
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
N-(4-chlorocyclohexyl)-2-fluoro-5-methylbenzamide
CID 113271582
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
4-[(4-methoxy-2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119228986
2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661
N-cyclopropyl-2-methoxy-5-phenylbenzamide
CID 110406431
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
4-[(2-amino-5-fluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 61160859

Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid (CID 119230033) is 4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid is Cc1ccc(-c2ccc(C(=O)NC3CCC(C(=O)O)CC3)c(F)c2)cc1.
What is the InChIKey of 4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is BHUPGLBTAYWUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-13-2-4-14(5-3-13)16-8-11-18(19(22)12-16)20(24)23-17-9-6-15(7-10-17)21(25)26/h2-5,8,11-12,15,17H,6-7,9-10H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 355.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119230033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).