4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid

C14H16F2N2O3 — CID 61182622

IUPAC4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cc(F)ccc1F)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H16F2N2O3/c15-9-3-6-11(16)12(7-9)18-14(21)17-10-4-1-8(2-5-10)13(19)20/h3,6-8,10H,1-2,4-5H2,(H,19,20)(H2,17,18,21)
InChIKeyWPVYNOKEVUKDHW-UHFFFAOYSA-N
MW298.29 g/mol
LogP2.73
Rot. Bonds3

About 4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 61182622) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is 4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID61182622
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cc(F)ccc1F)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H16F2N2O3/c15-9-3-6-11(16)12(7-9)18-14(21)17-10-4-1-8(2-5-10)13(19)20/h3,6-8,10H,1-2,4-5H2,(H,19,20)(H2,17,18,21)
InChIKeyWPVYNOKEVUKDHW-UHFFFAOYSA-N
XLogP2.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043354
cis-(1R,3S)-3-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319305
4-[[4-fluoro-2-(trifluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079192
4-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122075338
4-[(2,3-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61209411
4-[(3-cyclopropyl-4-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092618
cis-(1R,3S)-3-[(2-cyano-4-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319928
1-(5-chloro-2-fluorophenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890882
4-[(3-chloro-5-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107368708
4-[(4-bromo-2-chloro-5-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092526
3-[(2-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63042823
N-cyclopropyl-2-(2,5-difluoroanilino)acetamide
CID 28574514

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 61182622) is 4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid is O=C(Nc1cc(F)ccc1F)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is WPVYNOKEVUKDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c15-9-3-6-11(16)12(7-9)18-14(21)17-10-4-1-8(2-5-10)13(19)20/h3,6-8,10H,1-2,4-5H2,(H,19,20)(H2,17,18,21).
What are the key properties of 4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 298.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61182622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).