1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C14H15ClFNO4 — CID 154871885

IUPAC1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2cc(Cl)c(O)cc2F)CCCCC1
InChIInChI=1S/C14H15ClFNO4/c15-8-6-10(9(16)7-11(8)18)17-12(19)14(13(20)21)4-2-1-3-5-14/h6-7,18H,1-5H2,(H,17,19)(H,20,21)
InChIKeyJYUZURJKSGZOQI-UHFFFAOYSA-N
MW315.73 g/mol
LogP3.16
Rot. Bonds3

About 1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid

1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 154871885) has the molecular formula C14H15ClFNO4 and a molecular weight of 315.73 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID154871885
Molecular FormulaC14H15ClFNO4
Molecular Weight315.73 g/mol
Exact Mass315.07
IUPAC Name1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2cc(Cl)c(O)cc2F)CCCCC1
InChIInChI=1S/C14H15ClFNO4/c15-8-6-10(9(16)7-11(8)18)17-12(19)14(13(20)21)4-2-1-3-5-14/h6-7,18H,1-5H2,(H,17,19)(H,20,21)
InChIKeyJYUZURJKSGZOQI-UHFFFAOYSA-N
XLogP3.16
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]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

1-[[2-fluoro-4-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 172618064
1-[(2-chloro-5-fluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 103552439
1-[(4-bromo-2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 107615292
1-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 83087352
1-[(2,3-difluorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62095401
1-amino-N-(2,4,5-trifluorophenyl)cyclopentane-1-carboxamide
CID 62816762
1-(5-chloro-2-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 84794005
1-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
CID 29300214
1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide
CID 54925189
1-[(4-fluoro-2-iodophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79766775
4-[(2,4-difluorophenyl)carbamoyl]oxane-4-carboxylic acid
CID 154865208
1-[(2,4,6-trichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55034929

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 154871885) is 1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1(C(=O)Nc2cc(Cl)c(O)cc2F)CCCCC1.
What is the InChIKey of 1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is JYUZURJKSGZOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO4/c15-8-6-10(9(16)7-11(8)18)17-12(19)14(13(20)21)4-2-1-3-5-14/h6-7,18H,1-5H2,(H,17,19)(H,20,21).
What are the key properties of 1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 315.73 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluoro-4-hydroxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 154871885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).