N-(3-aminopropyl)-2,6-difluorobenzamide

C10H12F2N2O — CID 24709480

IUPACN-(3-aminopropyl)-2,6-difluorobenzamide
SMILESNCCCNC(=O)c1c(F)cccc1F
InChIInChI=1S/C10H12F2N2O/c11-7-3-1-4-8(12)9(7)10(15)14-6-2-5-13/h1,3-4H,2,5-6,13H2,(H,14,15)
InChIKeyLKUBJJKNQULKHB-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.04
Rot. Bonds4

About N-(3-aminopropyl)-2,6-difluorobenzamide

N-(3-aminopropyl)-2,6-difluorobenzamide (PubChem CID 24709480) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,6-difluorobenzamide
PubChem CID24709480
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC NameN-(3-aminopropyl)-2,6-difluorobenzamide
SMILESNCCCNC(=O)c1c(F)cccc1F
InChIInChI=1S/C10H12F2N2O/c11-7-3-1-4-8(12)9(7)10(15)14-6-2-5-13/h1,3-4H,2,5-6,13H2,(H,14,15)
InChIKeyLKUBJJKNQULKHB-UHFFFAOYSA-N
XLogP1.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethylbenzamide
CID 15542
Amylase
CID 71475145
N-benzoylglycinate
CID 4402710
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
N-Ethylbenzamide
CID 11959
N-Ethylbenzamide
CID 11959
1-Benzoylpiperazine
CID 762654
1-Benzoylpiperazine
CID 762654
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
N-(2-Methylpropyl)benzamide
CID 95140

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2,6-difluorobenzamide?
The IUPAC name of N-(3-aminopropyl)-2,6-difluorobenzamide (CID 24709480) is N-(3-aminopropyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(3-aminopropyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(3-aminopropyl)-2,6-difluorobenzamide is NCCCNC(=O)c1c(F)cccc1F.
What is the InChIKey of N-(3-aminopropyl)-2,6-difluorobenzamide?
The InChIKey is LKUBJJKNQULKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c11-7-3-1-4-8(12)9(7)10(15)14-6-2-5-13/h1,3-4H,2,5-6,13H2,(H,14,15).
What are the key properties of N-(3-aminopropyl)-2,6-difluorobenzamide?
N-(3-aminopropyl)-2,6-difluorobenzamide has a molecular weight of 214.22 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,6-difluorobenzamide is sourced from PubChem (CID 24709480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).