4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C15H18FNO3 — CID 63782954

IUPAC4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1F
InChIInChI=1S/C15H18FNO3/c1-9-2-7-12(8-13(9)16)17-14(18)10-3-5-11(6-4-10)15(19)20/h2,7-8,10-11H,3-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyFDSOANCRMCBQBK-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.96
Rot. Bonds3

About 4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63782954) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63782954
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1F
InChIInChI=1S/C15H18FNO3/c1-9-2-7-12(8-13(9)16)17-14(18)10-3-5-11(6-4-10)15(19)20/h2,7-8,10-11H,3-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyFDSOANCRMCBQBK-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide
CID 46578980
1-acetyl-N-(3-fluoro-4-methylphenyl)azetidine-3-carboxamide
CID 90511941
(3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 9081263
(1S,2S,3R,4S)-3-[(3-fluoro-4-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 18557724
4-[[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673576
N-(3-fluoro-4-hydroxyphenyl)cyclopropanecarboxamide
CID 64780100
N-(4-chloro-3-fluorophenyl)cyclopropanecarboxamide
CID 60776243
N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
(1R,2R,3R,4R)-3-[(3-fluoro-4-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124715297
N-(3-fluoro-4-methylphenyl)-1-[2-(4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909742
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
trans-(1S,2S)-2-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6978659

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63782954) is 4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is Cc1ccc(NC(=O)C2CCC(C(=O)O)CC2)cc1F.
What is the InChIKey of 4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is FDSOANCRMCBQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-9-2-7-12(8-13(9)16)17-14(18)10-3-5-11(6-4-10)15(19)20/h2,7-8,10-11H,3-6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63782954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).