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

C14H17FN2O4 — CID 107796245

IUPAC2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(F)c1)NC1CCCCC1O
InChIInChI=1S/C14H17FN2O4/c15-10-7-8(5-6-9(10)13(19)20)16-14(21)17-11-3-1-2-4-12(11)18/h5-7,11-12,18H,1-4H2,(H,19,20)(H2,16,17,21)
InChIKeyACFKEYOCCKHNKT-UHFFFAOYSA-N
MW296.30 g/mol
LogP1.95
Rot. Bonds3

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

2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid (PubChem CID 107796245) has the molecular formula C14H17FN2O4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
PubChem CID107796245
Molecular FormulaC14H17FN2O4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1ccc(C(=O)O)c(F)c1)NC1CCCCC1O
InChIInChI=1S/C14H17FN2O4/c15-10-7-8(5-6-9(10)13(19)20)16-14(21)17-11-3-1-2-4-12(11)18/h5-7,11-12,18H,1-4H2,(H,19,20)(H2,16,17,21)
InChIKeyACFKEYOCCKHNKT-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

2-hydroxy-5-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 62360010
1-(2-hydroxycyclohexyl)-3-(3,4,5-trifluorophenyl)urea
CID 111459001
4-fluoro-2-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid
CID 62358546
2-fluoro-4-(thian-3-ylcarbamoylamino)benzoic acid
CID 107796478
2-fluoro-4-(thian-4-ylcarbamoylamino)benzoic acid
CID 107796479
4-(cyclopent-3-en-1-ylcarbamoylamino)-2-fluorobenzoic acid
CID 114002377
2-fluoro-4-(oxan-4-ylcarbamoylamino)benzoic acid
CID 107796002
2-fluoro-4-(oxolan-3-ylcarbamoylamino)benzoic acid
CID 107793067
4-(cyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid
CID 107795723
1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 40546318
2-fluoro-4-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 106258332
1-(2-hydroxycyclohexyl)-3-(2,4,5-trifluorophenyl)urea
CID 111103807

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid (CID 107796245) is 2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid is O=C(Nc1ccc(C(=O)O)c(F)c1)NC1CCCCC1O.
What is the InChIKey of 2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid?
The InChIKey is ACFKEYOCCKHNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O4/c15-10-7-8(5-6-9(10)13(19)20)16-14(21)17-11-3-1-2-4-12(11)18/h5-7,11-12,18H,1-4H2,(H,19,20)(H2,16,17,21).
What are the key properties of 2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid?
2-fluoro-4-[(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 2-fluoro-4-[(2-hydroxycyclohexyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 107796245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).