3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid

C15H19FN2O3 — CID 63043343

IUPAC3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESNC(=O)c1ccc(CNC2CCCC(C(=O)O)C2)c(F)c1
InChIInChI=1S/C15H19FN2O3/c16-13-7-9(14(17)19)4-5-11(13)8-18-12-3-1-2-10(6-12)15(20)21/h4-5,7,10,12,18H,1-3,6,8H2,(H2,17,19)(H,20,21)
InChIKeyJKHHIRYBYQFLML-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.66
Rot. Bonds5

About 3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid

3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 63043343) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID63043343
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
SMILESNC(=O)c1ccc(CNC2CCCC(C(=O)O)C2)c(F)c1
InChIInChI=1S/C15H19FN2O3/c16-13-7-9(14(17)19)4-5-11(13)8-18-12-3-1-2-10(6-12)15(20)21/h4-5,7,10,12,18H,1-3,6,8H2,(H2,17,19)(H,20,21)
InChIKeyJKHHIRYBYQFLML-UHFFFAOYSA-N
XLogP1.66
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579771
4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43317879
3-[(3-chloro-4-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81157197
3-[(2-bromo-5-chlorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 66155503
3-[(4-bromo-3-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81441131
4-[[(3-ethylcyclohexyl)amino]methyl]-3-methylbenzamide
CID 114480409
1-[(4-carbamoyl-2-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43441046
3-[(2,4-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783171
3-[(2-chloro-6-hydroxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 113277184
3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044355
4-fluoro-3-[(oxan-4-ylamino)methyl]benzamide
CID 43610147
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612

Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid (CID 63043343) is 3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid is NC(=O)c1ccc(CNC2CCCC(C(=O)O)C2)c(F)c1.
What is the InChIKey of 3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is JKHHIRYBYQFLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-13-7-9(14(17)19)4-5-11(13)8-18-12-3-1-2-10(6-12)15(20)21/h4-5,7,10,12,18H,1-3,6,8H2,(H2,17,19)(H,20,21).
What are the key properties of 3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid?
3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamoyl-2-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).