N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide

C13H18F2N2O — CID 54987846

IUPACN-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide
SMILESCCN(CC(C)CN)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-3-17(8-9(2)7-16)13(18)11-5-4-10(14)6-12(11)15/h4-6,9H,3,7-8,16H2,1-2H3
InChIKeyIARSEECTVIJPEB-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.02
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide

N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide (PubChem CID 54987846) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide
PubChem CID54987846
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide
SMILESCCN(CC(C)CN)C(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O/c1-3-17(8-9(2)7-16)13(18)11-5-4-10(14)6-12(11)15/h4-6,9H,3,7-8,16H2,1-2H3
InChIKeyIARSEECTVIJPEB-UHFFFAOYSA-N
XLogP2.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,4-difluoro-N-(2-hydroxyethyl)benzamide
CID 60653825
N-(2-bromoethyl)-N-ethyl-2,4-difluorobenzamide
CID 80661130
N-(3-amino-2-methylpropyl)-N-ethyl-2,6-dimethylpyridine-3-carboxamide
CID 62829546
N-(3-amino-2-methylpropyl)-N-ethyl-2-hydroxy-4-methoxybenzamide
CID 54987801
N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide
CID 54991847
2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62034804
N-(5-amino-4-methylpentyl)-2,4-difluorobenzamide
CID 106152842
N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide
CID 91717598
2-[butan-2-yl-(2,4-difluorobenzoyl)amino]acetic acid
CID 54925865
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 54987417
3-[(2,4-difluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 55008235
N-ethyl-5-fluoro-2-(3-hydroxyprop-1-ynyl)-N-(2-methylbutyl)benzamide
CID 79482908

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide (CID 54987846) is N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide is CCN(CC(C)CN)C(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide?
The InChIKey is IARSEECTVIJPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-3-17(8-9(2)7-16)13(18)11-5-4-10(14)6-12(11)15/h4-6,9H,3,7-8,16H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide?
N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide has a molecular weight of 256.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-ethyl-2,4-difluorobenzamide is sourced from PubChem (CID 54987846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).