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

C15H19FN2O3 — CID 63042823

IUPAC3-[(2-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(F)c(NC(=O)NC2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C15H19FN2O3/c1-9-5-6-12(16)13(7-9)18-15(21)17-11-4-2-3-10(8-11)14(19)20/h5-7,10-11H,2-4,8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyDMPJYMUUEWTJJW-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.90
Rot. Bonds3

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

3-[(2-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 63042823) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[(2-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID63042823
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name3-[(2-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(F)c(NC(=O)NC2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C15H19FN2O3/c1-9-5-6-12(16)13(7-9)18-15(21)17-11-4-2-3-10(8-11)14(19)20/h5-7,10-11H,2-4,8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyDMPJYMUUEWTJJW-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

3-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043354
cis-(1R,3S)-3-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319305
cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324088
3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030426
3-[(2-bromo-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031810
1-cycloheptyl-3-(2-fluoro-4-methylphenyl)urea
CID 47132817
1-cyclohexyl-3-(2-fluoro-4-methylphenyl)urea
CID 47103760
4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61182622
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
3-[(5-bromo-4-fluoro-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107593237
cis-(1R,3S)-3-[(3,4-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324149
3-[(3-methylsulfanylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63042817

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(2-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 63042823) is 3-[(2-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(2-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is Cc1ccc(F)c(NC(=O)NC2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 3-[(2-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is DMPJYMUUEWTJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9-5-6-12(16)13(7-9)18-15(21)17-11-4-2-3-10(8-11)14(19)20/h5-7,10-11H,2-4,8H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(2-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
3-[(2-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 3-[(2-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).