N-(2,6-difluoro-3-methylphenyl)-2-(methylamino)propanamide

C11H14F2N2O — CID 82818428

IUPACN-(2,6-difluoro-3-methylphenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1c(F)ccc(C)c1F
InChIInChI=1S/C11H14F2N2O/c1-6-4-5-8(12)10(9(6)13)15-11(16)7(2)14-3/h4-5,7,14H,1-3H3,(H,15,16)
InChIKeyFZKOXSMLBBGVDG-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.82
Rot. Bonds3

About N-(2,6-difluoro-3-methylphenyl)-2-(methylamino)propanamide

N-(2,6-difluoro-3-methylphenyl)-2-(methylamino)propanamide (PubChem CID 82818428) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is N-(2,6-difluoro-3-methylphenyl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-methylphenyl)-2-(methylamino)propanamide
PubChem CID82818428
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC NameN-(2,6-difluoro-3-methylphenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1c(F)ccc(C)c1F
InChIInChI=1S/C11H14F2N2O/c1-6-4-5-8(12)10(9(6)13)15-11(16)7(2)14-3/h4-5,7,14H,1-3H3,(H,15,16)
InChIKeyFZKOXSMLBBGVDG-UHFFFAOYSA-N
XLogP1.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2,6-difluoro-3-methylphenyl)carbamoylamino]propanoic acid
CID 82819574
N-(2,6-difluoro-3-methylphenyl)-2-piperazin-1-ylpropanamide
CID 82820113
N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82820072
3-(2,6-difluoro-3-methylanilino)-3-oxopropanoic acid
CID 82820377
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371
3-(2,6-difluoro-3-methylanilino)-2-methylbutanoic acid
CID 82818644
(2R)-2-[(2,6-difluoro-3-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82802514
N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide
CID 62637660
N-(2,6-difluoro-3-methylphenyl)-4-hydroxybutanamide
CID 82819991
phenyl N-(2,6-difluoro-3-methylphenyl)carbamate
CID 82820468
N-(2,6-difluoro-3-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 82818995
4-amino-N-(2,6-difluoro-3-methylphenyl)-4-methylpentanamide
CID 82819149

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-methylphenyl)-2-(methylamino)propanamide?
The IUPAC name of N-(2,6-difluoro-3-methylphenyl)-2-(methylamino)propanamide (CID 82818428) is N-(2,6-difluoro-3-methylphenyl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(2,6-difluoro-3-methylphenyl)-2-(methylamino)propanamide?
The canonical SMILES for N-(2,6-difluoro-3-methylphenyl)-2-(methylamino)propanamide is CNC(C)C(=O)Nc1c(F)ccc(C)c1F.
What is the InChIKey of N-(2,6-difluoro-3-methylphenyl)-2-(methylamino)propanamide?
The InChIKey is FZKOXSMLBBGVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-6-4-5-8(12)10(9(6)13)15-11(16)7(2)14-3/h4-5,7,14H,1-3H3,(H,15,16).
What are the key properties of N-(2,6-difluoro-3-methylphenyl)-2-(methylamino)propanamide?
N-(2,6-difluoro-3-methylphenyl)-2-(methylamino)propanamide has a molecular weight of 228.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-methylphenyl)-2-(methylamino)propanamide is sourced from PubChem (CID 82818428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).