2,3-difluoro-N-methyl-N-propylbenzamide

C11H13F2NO — CID 62649186

IUPAC2,3-difluoro-N-methyl-N-propylbenzamide
SMILESCCCN(C)C(=O)c1cccc(F)c1F
InChIInChI=1S/C11H13F2NO/c1-3-7-14(2)11(15)8-5-4-6-9(12)10(8)13/h4-6H,3,7H2,1-2H3
InChIKeyYUUUCOQGAIIJPC-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.45
Rot. Bonds3

About 2,3-difluoro-N-methyl-N-propylbenzamide

2,3-difluoro-N-methyl-N-propylbenzamide (PubChem CID 62649186) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2,3-difluoro-N-methyl-N-propylbenzamide.

Molecular Properties

Compound Name2,3-difluoro-N-methyl-N-propylbenzamide
PubChem CID62649186
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2,3-difluoro-N-methyl-N-propylbenzamide
SMILESCCCN(C)C(=O)c1cccc(F)c1F
InChIInChI=1S/C11H13F2NO/c1-3-7-14(2)11(15)8-5-4-6-9(12)10(8)13/h4-6H,3,7H2,1-2H3
InChIKeyYUUUCOQGAIIJPC-UHFFFAOYSA-N
XLogP2.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-difluoro-N-methyl-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
CID 63694509
N-(2-aminoethyl)-2,3-difluoro-N-propylbenzamide
CID 62649951
2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710110
2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 55110703
2-hydroxy-N-methyl-N-propylbenzamide
CID 43271541
2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide
CID 62649252
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865
N,2-dimethyl-N-propylbenzamide;ethane
CID 142246396
2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55133305
3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide
CID 62649253
N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62649068
N-butyl-N-cyclopropyl-2,3-difluorobenzamide
CID 55210520

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-methyl-N-propylbenzamide?
The IUPAC name of 2,3-difluoro-N-methyl-N-propylbenzamide (CID 62649186) is 2,3-difluoro-N-methyl-N-propylbenzamide.
What is the SMILES notation for 2,3-difluoro-N-methyl-N-propylbenzamide?
The canonical SMILES for 2,3-difluoro-N-methyl-N-propylbenzamide is CCCN(C)C(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-methyl-N-propylbenzamide?
The InChIKey is YUUUCOQGAIIJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-3-7-14(2)11(15)8-5-4-6-9(12)10(8)13/h4-6H,3,7H2,1-2H3.
What are the key properties of 2,3-difluoro-N-methyl-N-propylbenzamide?
2,3-difluoro-N-methyl-N-propylbenzamide has a molecular weight of 213.23 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-methyl-N-propylbenzamide is sourced from PubChem (CID 62649186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).