4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid

C14H17FN2O4 — CID 62358546

IUPAC4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cc(F)ccc1C(=O)O)NC1CCCCC1O
InChIInChI=1S/C14H17FN2O4/c15-8-5-6-9(13(19)20)11(7-8)17-14(21)16-10-3-1-2-4-12(10)18/h5-7,10,12,18H,1-4H2,(H,19,20)(H2,16,17,21)
InChIKeySJRDSHSQQAKALB-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.95
Rot. Bonds3

About 4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid

4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid (PubChem CID 62358546) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
PubChem CID62358546
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cc(F)ccc1C(=O)O)NC1CCCCC1O
InChIInChI=1S/C14H17FN2O4/c15-8-5-6-9(13(19)20)11(7-8)17-14(21)16-10-3-1-2-4-12(10)18/h5-7,10,12,18H,1-4H2,(H,19,20)(H2,16,17,21)
InChIKeySJRDSHSQQAKALB-UHFFFAOYSA-N
XLogP1.95
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 47091282
2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 107796245
2-(cycloheptanecarbonylamino)-4-fluorobenzoic acid
CID 62585770
1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea
CID 111103807
4-fluoro-2-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548882
1-(5-fluoro-2-pyrazol-1-ylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 111107523
1-(2-fluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 60612560
2-(cyclopentylamino)-4-fluorobenzoic acid
CID 82933177
1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea
CID 75948763
2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 62360010
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 63656160
2-[(2-aminocyclohexanecarbonyl)amino]-4-fluorobenzoic acid
CID 64824996

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid?
The IUPAC name of 4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid (CID 62358546) is 4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid?
The canonical SMILES for 4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid is O=C(Nc1cc(F)ccc1C(=O)O)NC1CCCCC1O.
What is the InChIKey of 4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid?
The InChIKey is SJRDSHSQQAKALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c15-8-5-6-9(13(19)20)11(7-8)17-14(21)16-10-3-1-2-4-12(10)18/h5-7,10,12,18H,1-4H2,(H,19,20)(H2,16,17,21).
What are the key properties of 4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid?
4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid has a molecular weight of 296.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 62358546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).