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

C15H19FN2O3 — CID 79046093

IUPAC2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1cc(F)cc(NC(=O)NC2CCCCC2C(=O)O)c1
InChIInChI=1S/C15H19FN2O3/c1-9-6-10(16)8-11(7-9)17-15(21)18-13-5-3-2-4-12(13)14(19)20/h6-8,12-13H,2-5H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyVQQBEJYJLKESCR-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.90
Rot. Bonds3

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

2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 79046093) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID79046093
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1cc(F)cc(NC(=O)NC2CCCCC2C(=O)O)c1
InChIInChI=1S/C15H19FN2O3/c1-9-6-10(16)8-11(7-9)17-15(21)18-13-5-3-2-4-12(13)14(19)20/h6-8,12-13H,2-5H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyVQQBEJYJLKESCR-UHFFFAOYSA-N
XLogP2.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64818045
2-[(4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64816695
2-[(2-bromo-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64815711
4-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79210577
2-[(3-fluoro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764542
2-[(2-bromo-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82766632
2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815928
2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64818167
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102854411
N-(3-fluoro-5-methylphenyl)cyclopropanecarboxamide
CID 79047928
2-[(4-bromo-3-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 82860446
2-[(3-propan-2-ylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64817286

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 79046093) is 2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is Cc1cc(F)cc(NC(=O)NC2CCCCC2C(=O)O)c1.
What is the InChIKey of 2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is VQQBEJYJLKESCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9-6-10(16)8-11(7-9)17-15(21)18-13-5-3-2-4-12(13)14(19)20/h6-8,12-13H,2-5H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79046093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).