2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide

C10H10ClF2NO2 — CID 103770297

IUPAC2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)F)c1ccccc1Cl
InChIInChI=1S/C10H10ClF2NO2/c11-7-4-2-1-3-6(7)10(16)14-5-8(15)9(12)13/h1-4,8-9,15H,5H2,(H,14,16)
InChIKeyRTRMEVAMXJGVMO-UHFFFAOYSA-N
MW249.64 g/mol
LogP1.70
Rot. Bonds4

About 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide

2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide (PubChem CID 103770297) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
PubChem CID103770297
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Name2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)F)c1ccccc1Cl
InChIInChI=1S/C10H10ClF2NO2/c11-7-4-2-1-3-6(7)10(16)14-5-8(15)9(12)13/h1-4,8-9,15H,5H2,(H,14,16)
InChIKeyRTRMEVAMXJGVMO-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide
CID 103820546
N-(3,3-difluoro-2-hydroxypropyl)-2-(difluoromethoxy)benzamide
CID 103770487
5-amino-2,3-dichloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 114092848
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 103770168
2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 103770405
2-chloro-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]benzamide
CID 111427451
2-bromo-N-[2-[(3,3-difluoro-2-hydroxypropyl)amino]-2-oxoethyl]benzamide
CID 104889713
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 111452346
2-chloro-N-[2-[[(2S)-3-ethyl-2-hydroxypentyl]amino]-2-oxoethyl]benzamide
CID 95622425
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 114093375
2-chloro-N-(4-chloro-2-methylbutyl)benzamide
CID 114306157
N-(3-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119998030

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide (CID 103770297) is 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide is O=C(NCC(O)C(F)F)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide?
The InChIKey is RTRMEVAMXJGVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c11-7-4-2-1-3-6(7)10(16)14-5-8(15)9(12)13/h1-4,8-9,15H,5H2,(H,14,16).
What are the key properties of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide?
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide has a molecular weight of 249.64 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 103770297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).