4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide

C10H10ClF2NO2 — CID 115611590

IUPAC4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide
SMILESCN(CC(F)F)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C10H10ClF2NO2/c1-14(5-9(12)13)10(16)7-3-2-6(11)4-8(7)15/h2-4,9,15H,5H2,1H3
InChIKeyQTTQDYZDPBBANT-UHFFFAOYSA-N
MW249.64 g/mol
LogP2.38
Rot. Bonds3

About 4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide

4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide (PubChem CID 115611590) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is 4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide
PubChem CID115611590
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Name4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide
SMILESCN(CC(F)F)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C10H10ClF2NO2/c1-14(5-9(12)13)10(16)7-3-2-6(11)4-8(7)15/h2-4,9,15H,5H2,1H3
InChIKeyQTTQDYZDPBBANT-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62335326
N-(2-bromopropyl)-4-chloro-2-hydroxy-N-methylbenzamide
CID 80666240
2-amino-4-chloro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334921
4-chloro-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 60628192
N-(2,2-difluoroethyl)-2-hydroxy-N,5-dimethylbenzamide
CID 115611587
4-chloro-2-hydroxy-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 63957648
4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide
CID 81055002
4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
CID 103189268
2-amino-4-chloro-N-methyl-N-(2-methylbutyl)benzamide
CID 43295321
4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 54942659
4-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide
CID 43420563
N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide
CID 117044863

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide?
The IUPAC name of 4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide (CID 115611590) is 4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide?
The canonical SMILES for 4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide is CN(CC(F)F)C(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide?
The InChIKey is QTTQDYZDPBBANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-14(5-9(12)13)10(16)7-3-2-6(11)4-8(7)15/h2-4,9,15H,5H2,1H3.
What are the key properties of 4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide?
4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide has a molecular weight of 249.64 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide is sourced from PubChem (CID 115611590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).