N-(2-aminopentyl)-2,4-difluorobenzamide

C12H16F2N2O — CID 115737778

IUPACN-(2-aminopentyl)-2,4-difluorobenzamide
SMILESCCCC(N)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O/c1-2-3-9(15)7-16-12(17)10-5-4-8(13)6-11(10)14/h4-6,9H,2-3,7,15H2,1H3,(H,16,17)
InChIKeyPMSQXWBELNPUOR-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.82
Rot. Bonds5

About N-(2-aminopentyl)-2,4-difluorobenzamide

N-(2-aminopentyl)-2,4-difluorobenzamide (PubChem CID 115737778) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(2-aminopentyl)-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(2-aminopentyl)-2,4-difluorobenzamide
PubChem CID115737778
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-(2-aminopentyl)-2,4-difluorobenzamide
SMILESCCCC(N)CNC(=O)c1ccc(F)cc1F
InChIInChI=1S/C12H16F2N2O/c1-2-3-9(15)7-16-12(17)10-5-4-8(13)6-11(10)14/h4-6,9H,2-3,7,15H2,1H3,(H,16,17)
InChIKeyPMSQXWBELNPUOR-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

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Related Compounds

N-(2-aminopentyl)-3,5-difluorobenzamide
CID 115737672
N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide
CID 64540190
N-(2-aminopentyl)-3-fluoro-4-methylbenzamide
CID 115737742
N-(2-aminobutyl)-4-bromo-2-fluorobenzamide
CID 63732420
2,4-difluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832356
(2S)-3-[(2,4-difluorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833479
(2S)-2-[(2,4-difluorobenzoyl)amino]pentanoic acid
CID 107564266
N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide
CID 110281414
N-(2-aminopentyl)-2-methoxy-5-methylbenzamide
CID 115737842
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide
CID 102884002
2,4-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 110888862

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopentyl)-2,4-difluorobenzamide?
The IUPAC name of N-(2-aminopentyl)-2,4-difluorobenzamide (CID 115737778) is N-(2-aminopentyl)-2,4-difluorobenzamide.
What is the SMILES notation for N-(2-aminopentyl)-2,4-difluorobenzamide?
The canonical SMILES for N-(2-aminopentyl)-2,4-difluorobenzamide is CCCC(N)CNC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(2-aminopentyl)-2,4-difluorobenzamide?
The InChIKey is PMSQXWBELNPUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-2-3-9(15)7-16-12(17)10-5-4-8(13)6-11(10)14/h4-6,9H,2-3,7,15H2,1H3,(H,16,17).
What are the key properties of N-(2-aminopentyl)-2,4-difluorobenzamide?
N-(2-aminopentyl)-2,4-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)-2,4-difluorobenzamide is sourced from PubChem (CID 115737778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).