N-(3-amino-2-fluorophenyl)-3-(2-cyanopropan-2-yl)benzamide

C17H16FN3O — CID 137353668

IUPACN-(3-amino-2-fluorophenyl)-3-(2-cyanopropan-2-yl)benzamide
SMILESCC(C)(C#N)c1cccc(C(=O)Nc2cccc(N)c2F)c1
InChIInChI=1S/C17H16FN3O/c1-17(2,10-19)12-6-3-5-11(9-12)16(22)21-14-8-4-7-13(20)15(14)18/h3-9H,20H2,1-2H3,(H,21,22)
InChIKeyUYLJWOMGXIWQNK-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.46
Rot. Bonds3

About N-(3-amino-2-fluorophenyl)-3-(2-cyanopropan-2-yl)benzamide

N-(3-amino-2-fluorophenyl)-3-(2-cyanopropan-2-yl)benzamide (PubChem CID 137353668) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-(3-amino-2-fluorophenyl)-3-(2-cyanopropan-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-amino-2-fluorophenyl)-3-(2-cyanopropan-2-yl)benzamide
PubChem CID137353668
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-(3-amino-2-fluorophenyl)-3-(2-cyanopropan-2-yl)benzamide
SMILESCC(C)(C#N)c1cccc(C(=O)Nc2cccc(N)c2F)c1
InChIInChI=1S/C17H16FN3O/c1-17(2,10-19)12-6-3-5-11(9-12)16(22)21-14-8-4-7-13(20)15(14)18/h3-9H,20H2,1-2H3,(H,21,22)
InChIKeyUYLJWOMGXIWQNK-UHFFFAOYSA-N
XLogP3.46
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-3-tert-butylbenzamide
CID 156733569
tert-butyl N-[4-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-fluorophenyl]carbamate
CID 137353517
N-(3-amino-2-fluorophenyl)acetamide
CID 23022555
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-N-(6-fluoro-3-pyridinyl)-2-methylbenzamide
CID 68847839
5-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-N-methylpyridine-3,5-dicarboxamide
CID 69443345
N-[3-(4-aminophenoxy)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide
CID 67313669
3-[(2,3-difluorophenyl)carbamoyl]benzoic acid
CID 61076302
N-[3-(8-amino-4-oxoquinazolin-3-yl)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide
CID 69226615
N-(2-fluoro-3-methylphenyl)-3-hydroxybenzamide
CID 113368406
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
3-(2-cyanopropan-2-yl)-N-[3-[(5-nitropyrimidin-2-yl)amino]phenyl]benzamide
CID 123994512
N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide
CID 59376462

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-fluorophenyl)-3-(2-cyanopropan-2-yl)benzamide?
The IUPAC name of N-(3-amino-2-fluorophenyl)-3-(2-cyanopropan-2-yl)benzamide (CID 137353668) is N-(3-amino-2-fluorophenyl)-3-(2-cyanopropan-2-yl)benzamide.
What is the SMILES notation for N-(3-amino-2-fluorophenyl)-3-(2-cyanopropan-2-yl)benzamide?
The canonical SMILES for N-(3-amino-2-fluorophenyl)-3-(2-cyanopropan-2-yl)benzamide is CC(C)(C#N)c1cccc(C(=O)Nc2cccc(N)c2F)c1.
What is the InChIKey of N-(3-amino-2-fluorophenyl)-3-(2-cyanopropan-2-yl)benzamide?
The InChIKey is UYLJWOMGXIWQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-17(2,10-19)12-6-3-5-11(9-12)16(22)21-14-8-4-7-13(20)15(14)18/h3-9H,20H2,1-2H3,(H,21,22).
What are the key properties of N-(3-amino-2-fluorophenyl)-3-(2-cyanopropan-2-yl)benzamide?
N-(3-amino-2-fluorophenyl)-3-(2-cyanopropan-2-yl)benzamide has a molecular weight of 297.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-fluorophenyl)-3-(2-cyanopropan-2-yl)benzamide is sourced from PubChem (CID 137353668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).