2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide

C11H13F2NO2 — CID 55110703

IUPAC2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide
SMILESCC(O)CN(C)C(=O)c1cccc(F)c1F
InChIInChI=1S/C11H13F2NO2/c1-7(15)6-14(2)11(16)8-4-3-5-9(12)10(8)13/h3-5,7,15H,6H2,1-2H3
InChIKeyAKQWGGHQOLSRTI-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.42
Rot. Bonds3

About 2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide

2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide (PubChem CID 55110703) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide.

Molecular Properties

Compound Name2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide
PubChem CID55110703
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Name2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide
SMILESCC(O)CN(C)C(=O)c1cccc(F)c1F
InChIInChI=1S/C11H13F2NO2/c1-7(15)6-14(2)11(16)8-4-3-5-9(12)10(8)13/h3-5,7,15H,6H2,1-2H3
InChIKeyAKQWGGHQOLSRTI-UHFFFAOYSA-N
XLogP1.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
N-(2-bromo-3-methoxypropyl)-2,3-difluoro-N-methylbenzamide
CID 80671246
2,3-difluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 80710110
N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
CID 63694509
2,3-difluoro-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 55210661
2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55133305
N-(2-hydroxypropyl)-N-methyl-2-sulfanylbenzamide
CID 107028256
[2-fluoro-3-[methyl(2-methylpropyl)carbamoyl]phenyl]boronic acid
CID 140918757
methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 61052680
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865
2,3-difluoro-N-(2-methylpropyl)-N-pentan-3-ylbenzamide
CID 79484068
3-[(3-fluoro-2-methylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 122107756

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide?
The IUPAC name of 2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide (CID 55110703) is 2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide.
What is the SMILES notation for 2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide?
The canonical SMILES for 2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide is CC(O)CN(C)C(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide?
The InChIKey is AKQWGGHQOLSRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-7(15)6-14(2)11(16)8-4-3-5-9(12)10(8)13/h3-5,7,15H,6H2,1-2H3.
What are the key properties of 2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide?
2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide has a molecular weight of 229.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide is sourced from PubChem (CID 55110703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).