3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

C15H18FNO3 — CID 63782434

IUPAC3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(F)cc1NC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C15H18FNO3/c1-9-5-6-12(16)8-13(9)17-14(18)10-3-2-4-11(7-10)15(19)20/h5-6,8,10-11H,2-4,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyRMIOSQXMNQZPPO-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.96
Rot. Bonds3

About 3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid

3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63782434) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63782434
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1ccc(F)cc1NC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C15H18FNO3/c1-9-5-6-12(16)8-13(9)17-14(18)10-3-2-4-11(7-10)15(19)20/h5-6,8,10-11H,2-4,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyRMIOSQXMNQZPPO-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

(1S,5R)-N-(5-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 51451511
(1R,5R)-N-(5-fluoro-2-methylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 98398540
cis-(1S,3R)-3-[(2,4-difluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091643
N-(5-fluoro-2-methylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013638
cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 7777713
N-(4-fluoro-2-methylphenyl)cyclobutanecarboxamide
CID 17069288
3-[[2-methyl-5-(1,3-oxazol-2-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551453
cis-(1S,3R)-3-[(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 91900837
3-[(3,5-difluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783799
4-(aminomethyl)-N-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxamide
CID 79526871
(1S,2R,3R,4S)-3-[(5-fluoro-2-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98212966
3-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 107577238

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 63782434) is 3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is Cc1ccc(F)cc1NC(=O)C1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is RMIOSQXMNQZPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-9-5-6-12(16)8-13(9)17-14(18)10-3-2-4-11(7-10)15(19)20/h5-6,8,10-11H,2-4,7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[(5-fluoro-2-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 3-[(5-fluoro-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63782434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).