3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide

C16H19FN4O — CID 119860256

IUPAC3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)C1
InChIInChI=1S/C16H19FN4O/c17-14-9-13(4-5-15(14)21-7-6-19-10-21)20-16(22)11-2-1-3-12(18)8-11/h4-7,9-12H,1-3,8,18H2,(H,20,22)
InChIKeyFYVPRGXCKCYDBK-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.47
Rot. Bonds3

About 3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide

3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide (PubChem CID 119860256) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide
PubChem CID119860256
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)C1
InChIInChI=1S/C16H19FN4O/c17-14-9-13(4-5-15(14)21-7-6-19-10-21)20-16(22)11-2-1-3-12(18)8-11/h4-7,9-12H,1-3,8,18H2,(H,20,22)
InChIKeyFYVPRGXCKCYDBK-UHFFFAOYSA-N
XLogP2.47
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropanecarbonyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)piperidine-4-carboxamide
CID 47059867
N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55955657
3-amino-N-(3-fluoro-4-pyrazol-1-ylphenyl)cyclopentane-1-carboxamide
CID 119859342
3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706250
3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119707997
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119811117
3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731520
1-(4-chlorophenyl)-N-(3-fluoro-4-imidazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55956043
N-(3-fluoro-4-imidazol-1-ylphenyl)-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 55855989
3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide
CID 63044726
3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 114839686
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide (CID 119860256) is 3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)C1.
What is the InChIKey of 3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide?
The InChIKey is FYVPRGXCKCYDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-14-9-13(4-5-15(14)21-7-6-19-10-21)20-16(22)11-2-1-3-12(18)8-11/h4-7,9-12H,1-3,8,18H2,(H,20,22).
What are the key properties of 3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide?
3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluoro-4-imidazol-1-ylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119860256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).