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

C11H12ClF2NO2 — CID 104858102

IUPAC4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H12ClF2NO2/c1-7-4-8(12)2-3-9(7)10(17)15-5-11(13,14)6-16/h2-4,16H,5-6H2,1H3,(H,15,17)
InChIKeyFTVKMAHDGNLGEA-UHFFFAOYSA-N
MW263.67 g/mol
LogP2.01
Rot. Bonds4

About 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide

4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide (PubChem CID 104858102) has the molecular formula C11H12ClF2NO2 and a molecular weight of 263.67 g/mol. Its IUPAC name is 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide
PubChem CID104858102
Molecular FormulaC11H12ClF2NO2
Molecular Weight263.67 g/mol
Exact Mass263.05
IUPAC Name4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide
SMILESCc1cc(Cl)ccc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H12ClF2NO2/c1-7-4-8(12)2-3-9(7)10(17)15-5-11(13,14)6-16/h2-4,16H,5-6H2,1H3,(H,15,17)
InChIKeyFTVKMAHDGNLGEA-UHFFFAOYSA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.67
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-chlorobenzoyl)amino]propanoic Acid
CID 1235725
4-Chloro-N-(2-hydroxyethyl)benzamide
CID 233979
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
Ro 16-3177
CID 3082615
3,4-dichloro-N-(2-hydroxyethyl)benzamide
CID 2249234
4-chloro-N-(hydroxymethyl)benzamide
CID 155414
3-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 60392395
Benzamide, 3-chloro-2-fluoro-N-ethyl-
CID 80948021
N-(2,4-Dichlorobenzyl)-2-(Trifluoromethyl)benzamide
CID 7928084
4-chloro-N-(3-hydroxypropyl)benzamide
CID 2054599
N-((1-(hydroxymethyl)cyclopropyl)methyl)-2-(trifluoromethyl)benzamide
CID 49670945
N-((1r,4r)-4-aminocyclohexyl)-4-chloro-2-(trifluoromethyl)benzamide
CID 132219846

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide?
The IUPAC name of 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide (CID 104858102) is 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide?
The canonical SMILES for 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide is Cc1cc(Cl)ccc1C(=O)NCC(F)(F)CO.
What is the InChIKey of 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide?
The InChIKey is FTVKMAHDGNLGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO2/c1-7-4-8(12)2-3-9(7)10(17)15-5-11(13,14)6-16/h2-4,16H,5-6H2,1H3,(H,15,17).
What are the key properties of 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide?
4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide has a molecular weight of 263.67 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)-2-methylbenzamide is sourced from PubChem (CID 104858102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).