N-(2-aminopentyl)-3,5-difluorobenzamide

C12H16F2N2O — CID 115737672

IUPACN-(2-aminopentyl)-3,5-difluorobenzamide
SMILESCCCC(N)CNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2N2O/c1-2-3-11(15)7-16-12(17)8-4-9(13)6-10(14)5-8/h4-6,11H,2-3,7,15H2,1H3,(H,16,17)
InChIKeySPGNKDOQESEMJH-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.82
Rot. Bonds5

About N-(2-aminopentyl)-3,5-difluorobenzamide

N-(2-aminopentyl)-3,5-difluorobenzamide (PubChem CID 115737672) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(2-aminopentyl)-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(2-aminopentyl)-3,5-difluorobenzamide
PubChem CID115737672
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-(2-aminopentyl)-3,5-difluorobenzamide
SMILESCCCC(N)CNC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H16F2N2O/c1-2-3-11(15)7-16-12(17)8-4-9(13)6-10(14)5-8/h4-6,11H,2-3,7,15H2,1H3,(H,16,17)
InChIKeySPGNKDOQESEMJH-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-aminopentyl)-3,5-difluorobenzamide 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

N-(2-aminopentyl)-3-fluoro-4-methylbenzamide
CID 115737742
N-(2-aminopentyl)-2,4-difluorobenzamide
CID 115737778
N-(2-aminobutyl)-3-bromo-5-fluorobenzamide
CID 63731163
N-(2-aminopentyl)-3,5-dimethoxybenzamide
CID 115737673
N-(2-aminopentyl)pyridine-4-carboxamide
CID 115737712
N-[(2R)-2-(ethylamino)propyl]-3,5-difluorobenzamide
CID 120653813
N-(2,2-dimethoxyethyl)-3,5-difluorobenzamide
CID 55025954
methyl 2-chloro-3-[(3,5-difluorobenzoyl)amino]propanoate
CID 103492785
N-(2-aminopentyl)-2,6-dihydroxybenzamide
CID 107691454
2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one
CID 116574642
3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107464
N-(2-aminopentyl)-2-methoxy-5-methylbenzamide
CID 115737842

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopentyl)-3,5-difluorobenzamide?
The IUPAC name of N-(2-aminopentyl)-3,5-difluorobenzamide (CID 115737672) is N-(2-aminopentyl)-3,5-difluorobenzamide.
What is the SMILES notation for N-(2-aminopentyl)-3,5-difluorobenzamide?
The canonical SMILES for N-(2-aminopentyl)-3,5-difluorobenzamide is CCCC(N)CNC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-(2-aminopentyl)-3,5-difluorobenzamide?
The InChIKey is SPGNKDOQESEMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-2-3-11(15)7-16-12(17)8-4-9(13)6-10(14)5-8/h4-6,11H,2-3,7,15H2,1H3,(H,16,17).
What are the key properties of N-(2-aminopentyl)-3,5-difluorobenzamide?
N-(2-aminopentyl)-3,5-difluorobenzamide has a molecular weight of 242.27 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopentyl)-3,5-difluorobenzamide is sourced from PubChem (CID 115737672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).