3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide

C12H16F2N2O — CID 97325194

IUPAC3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
SMILESCNC[C@H](C)CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O/c1-8(6-15-2)7-16-12(17)9-3-4-10(13)11(14)5-9/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)/t8-/m0/s1
InChIKeyDZULDHPFVOVYLT-QMMMGPOBSA-N
MW242.27 g/mol
LogP1.55
Rot. Bonds5

About 3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide

3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide (PubChem CID 97325194) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
PubChem CID97325194
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
SMILESCNC[C@H](C)CNC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O/c1-8(6-15-2)7-16-12(17)9-3-4-10(13)11(14)5-9/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)/t8-/m0/s1
InChIKeyDZULDHPFVOVYLT-QMMMGPOBSA-N
XLogP1.55
TPSA41.13 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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-difluoro-N-[(2R)-2-methyl-3-(methylamino)propyl]benzamide
CID 97325195
3-bromo-4-fluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
CID 99849695
N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931
4-methyl-N-[2-methyl-3-(methylamino)propyl]benzamide
CID 81479378
3,4-difluoro-N-[(2S)-2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 95976798
6-bromo-N-[2-methyl-3-(methylamino)propyl]naphthalene-2-carboxamide
CID 115354259
3,4-difluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110445678
N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
CID 66176013
4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 103876641
(3S)-3-[[(3,4-difluorobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492448
4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide
CID 111447266
3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861935

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide (CID 97325194) is 3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide is CNC[C@H](C)CNC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide?
The InChIKey is DZULDHPFVOVYLT-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-8(6-15-2)7-16-12(17)9-3-4-10(13)11(14)5-9/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)/t8-/m0/s1.
What are the key properties of 3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide?
3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide has a molecular weight of 242.27 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide is sourced from PubChem (CID 97325194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).