4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid

C22H23FN2O4 — CID 119230189

IUPAC4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C22H23FN2O4/c1-13-6-7-15(20(26)24-16-10-8-14(9-11-16)22(28)29)12-19(13)25-21(27)17-4-2-3-5-18(17)23/h2-7,12,14,16H,8-11H2,1H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyPNZLFVXXOFGKRA-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.76
Rot. Bonds5

About 4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid

4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119230189) has the molecular formula C22H23FN2O4 and a molecular weight of 398.43 g/mol. Its IUPAC name is 4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119230189
Molecular FormulaC22H23FN2O4
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C22H23FN2O4/c1-13-6-7-15(20(26)24-16-10-8-14(9-11-16)22(28)29)12-19(13)25-21(27)17-4-2-3-5-18(17)23/h2-7,12,14,16H,8-11H2,1H3,(H,24,26)(H,25,27)(H,28,29)
InChIKeyPNZLFVXXOFGKRA-UHFFFAOYSA-N
XLogP3.76
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676239
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]benzamide
CID 126782233
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
2-[cyclopropyl-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]propanoic acid
CID 119203367
3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide
CID 146154056
3-[(2-fluorobenzoyl)amino]-4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 55687433
3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide
CID 172670156
N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 38953535
3-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 120944964
(2R,3R)-1-[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]-2-methylpiperidine-3-carboxylic acid
CID 122115383
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(5R)-5-methyl-4,5-dihydro-1,2-oxazol-3-yl]benzamide
CID 97249445

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid (CID 119230189) is 4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid is Cc1ccc(C(=O)NC2CCC(C(=O)O)CC2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of 4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is PNZLFVXXOFGKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O4/c1-13-6-7-15(20(26)24-16-10-8-14(9-11-16)22(28)29)12-19(13)25-21(27)17-4-2-3-5-18(17)23/h2-7,12,14,16H,8-11H2,1H3,(H,24,26)(H,25,27)(H,28,29).
What are the key properties of 4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid?
4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 398.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119230189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).