1-[(4-fluorophenyl)carbamoylamino]-2-methylcyclohexane-1-carboxylic acid

C15H19FN2O3 — CID 61293031

IUPAC1-[(4-fluorophenyl)carbamoylamino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)Nc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H19FN2O3/c1-10-4-2-3-9-15(10,13(19)20)18-14(21)17-12-7-5-11(16)6-8-12/h5-8,10H,2-4,9H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyCHUBJJYEENBABZ-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.98
Rot. Bonds3

About 1-[(4-fluorophenyl)carbamoylamino]-2-methylcyclohexane-1-carboxylic acid

1-[(4-fluorophenyl)carbamoylamino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 61293031) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)carbamoylamino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)carbamoylamino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID61293031
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[(4-fluorophenyl)carbamoylamino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)Nc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H19FN2O3/c1-10-4-2-3-9-15(10,13(19)20)18-14(21)17-12-7-5-11(16)6-8-12/h5-8,10H,2-4,9H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyCHUBJJYEENBABZ-UHFFFAOYSA-N
XLogP2.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-Phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 86271032
2-[(2-Fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2856339
(2S,3R)-2-(3-(2-fluorophenyl)ureido)-3-methylpentanoic acid
CID 16405314
(S)-2-[3-(2-Fluoro-phenyl)-ureido]-4-methyl-pentanoic acid
CID 942821
2-[(4-Fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 294984
2-[(3-Fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2839434
1-[(4-Fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 23607516
2-[(4-Fluorophenyl)carbamoylamino]-3-phenylpropanoic acid
CID 3839065
L-Phenylalanine, N-[(phenylamino)carbonyl]-
CID 676398
N-[(4-fluorophenyl)carbamoyl]-L-leucine
CID 945434
2-{[(3-Fluoro-2-methylphenyl)amino]carbonyl}cyclohexanecarboxylic acid
CID 2952192
2-{[(4-Fluoro-2-methylphenyl)amino]carbonyl}cyclohexanecarboxylic acid
CID 2966637

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)carbamoylamino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)carbamoylamino]-2-methylcyclohexane-1-carboxylic acid (CID 61293031) is 1-[(4-fluorophenyl)carbamoylamino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)carbamoylamino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)carbamoylamino]-2-methylcyclohexane-1-carboxylic acid is CC1CCCCC1(NC(=O)Nc1ccc(F)cc1)C(=O)O.
What is the InChIKey of 1-[(4-fluorophenyl)carbamoylamino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is CHUBJJYEENBABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-10-4-2-3-9-15(10,13(19)20)18-14(21)17-12-7-5-11(16)6-8-12/h5-8,10H,2-4,9H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 1-[(4-fluorophenyl)carbamoylamino]-2-methylcyclohexane-1-carboxylic acid?
1-[(4-fluorophenyl)carbamoylamino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)carbamoylamino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61293031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).