N-(2-aminopropyl)-3,4-difluorobenzamide

C10H12F2N2O — CID 63732931

IUPACN-(2-aminopropyl)-3,4-difluorobenzamide
SMILESCC(N)CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H12F2N2O/c1-6(13)5-14-10(15)7-2-3-8(11)9(12)4-7/h2-4,6H,5,13H2,1H3,(H,14,15)
InChIKeyBTUWOEYFDOLXLH-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.04
Rot. Bonds3

About N-(2-aminopropyl)-3,4-difluorobenzamide

N-(2-aminopropyl)-3,4-difluorobenzamide (PubChem CID 63732931) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is N-(2-aminopropyl)-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-3,4-difluorobenzamide
PubChem CID63732931
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC NameN-(2-aminopropyl)-3,4-difluorobenzamide
SMILESCC(N)CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H12F2N2O/c1-6(13)5-14-10(15)7-2-3-8(11)9(12)4-7/h2-4,6H,5,13H2,1H3,(H,14,15)
InChIKeyBTUWOEYFDOLXLH-UHFFFAOYSA-N
XLogP1.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminopropyl)-3-bromo-4-fluorobenzamide
CID 107956111
3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
CID 97325194
3,4-difluoro-N-[(2R)-2-methyl-3-(methylamino)propyl]benzamide
CID 97325195
N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
CID 66176013
4-amino-N-(2-aminopropyl)benzamide
CID 130891998
(3S)-3-[[(3,4-difluorobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492448
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3,4-difluorobenzamide
CID 43461442
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332
3-amino-N-(2,3-dimethylbutyl)-4-fluorobenzamide
CID 64568397
N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide
CID 64540601
3,4-difluoro-N-(2-phenylbutyl)benzamide
CID 43016062
N-(2-aminopropyl)-2,6-difluorobenzamide
CID 63732942

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-3,4-difluorobenzamide?
The IUPAC name of N-(2-aminopropyl)-3,4-difluorobenzamide (CID 63732931) is N-(2-aminopropyl)-3,4-difluorobenzamide.
What is the SMILES notation for N-(2-aminopropyl)-3,4-difluorobenzamide?
The canonical SMILES for N-(2-aminopropyl)-3,4-difluorobenzamide is CC(N)CNC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(2-aminopropyl)-3,4-difluorobenzamide?
The InChIKey is BTUWOEYFDOLXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-6(13)5-14-10(15)7-2-3-8(11)9(12)4-7/h2-4,6H,5,13H2,1H3,(H,14,15).
What are the key properties of N-(2-aminopropyl)-3,4-difluorobenzamide?
N-(2-aminopropyl)-3,4-difluorobenzamide has a molecular weight of 214.22 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-3,4-difluorobenzamide is sourced from PubChem (CID 63732931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).