4-amino-N-(2-cyanopropyl)-2-fluorobenzamide

C11H12FN3O — CID 107794464

IUPAC4-amino-N-(2-cyanopropyl)-2-fluorobenzamide
SMILESCC(C#N)CNC(=O)c1ccc(N)cc1F
InChIInChI=1S/C11H12FN3O/c1-7(5-13)6-15-11(16)9-3-2-8(14)4-10(9)12/h2-4,7H,6,14H2,1H3,(H,15,16)
InChIKeyNRPYPJOUMQZNHM-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.30
Rot. Bonds3

About 4-amino-N-(2-cyanopropyl)-2-fluorobenzamide

4-amino-N-(2-cyanopropyl)-2-fluorobenzamide (PubChem CID 107794464) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 4-amino-N-(2-cyanopropyl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanopropyl)-2-fluorobenzamide
PubChem CID107794464
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name4-amino-N-(2-cyanopropyl)-2-fluorobenzamide
SMILESCC(C#N)CNC(=O)c1ccc(N)cc1F
InChIInChI=1S/C11H12FN3O/c1-7(5-13)6-15-11(16)9-3-2-8(14)4-10(9)12/h2-4,7H,6,14H2,1H3,(H,15,16)
InChIKeyNRPYPJOUMQZNHM-UHFFFAOYSA-N
XLogP1.30
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2-cyanopropyl)-2-fluorobenzamide 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

4-amino-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 83142817
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265
4-[(4-amino-2-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 113342355
N-(2-cyanopropyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 62651111
5-amino-2-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 93091477
4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65104066
N-(2-cyanopropyl)-4,5-difluoro-2-nitrobenzamide
CID 62651299
N-(2-cyanopropyl)-2-fluoro-6-iodobenzamide
CID 71918653
4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide
CID 103876454
4-amino-2-fluoro-N-[3-[methyl(propan-2-yl)amino]propyl]benzamide
CID 106033010
2-(2-cyanopropylcarbamoyl)benzoic acid
CID 62666773
4-amino-2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293421

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanopropyl)-2-fluorobenzamide?
The IUPAC name of 4-amino-N-(2-cyanopropyl)-2-fluorobenzamide (CID 107794464) is 4-amino-N-(2-cyanopropyl)-2-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(2-cyanopropyl)-2-fluorobenzamide?
The canonical SMILES for 4-amino-N-(2-cyanopropyl)-2-fluorobenzamide is CC(C#N)CNC(=O)c1ccc(N)cc1F.
What is the InChIKey of 4-amino-N-(2-cyanopropyl)-2-fluorobenzamide?
The InChIKey is NRPYPJOUMQZNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-7(5-13)6-15-11(16)9-3-2-8(14)4-10(9)12/h2-4,7H,6,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-(2-cyanopropyl)-2-fluorobenzamide?
4-amino-N-(2-cyanopropyl)-2-fluorobenzamide has a molecular weight of 221.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanopropyl)-2-fluorobenzamide is sourced from PubChem (CID 107794464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).