4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide

C10H10ClF2NO2 — CID 82771930

IUPAC4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide
SMILESCC(O)CNC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C10H10ClF2NO2/c1-5(15)4-14-10(16)6-2-9(13)7(11)3-8(6)12/h2-3,5,15H,4H2,1H3,(H,14,16)
InChIKeyJERREBOKOFMIJL-UHFFFAOYSA-N
MW249.64 g/mol
LogP1.73
Rot. Bonds3

About 4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide

4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide (PubChem CID 82771930) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is 4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide
PubChem CID82771930
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Name4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide
SMILESCC(O)CNC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C10H10ClF2NO2/c1-5(15)4-14-10(16)6-2-9(13)7(11)3-8(6)12/h2-3,5,15H,4H2,1H3,(H,14,16)
InChIKeyJERREBOKOFMIJL-UHFFFAOYSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 82772630
4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide
CID 115869290
4-[(4-chloro-2,5-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 82782525
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide
CID 106165772
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-4-chloro-2,5-difluorobenzamide
CID 82772683
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83058281
4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide
CID 82772458
2,4-dichloro-5-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102914643
2-chloro-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030652
N-(3-bromo-2,2-dimethylpropyl)-4-chloro-2,5-difluorobenzamide
CID 82773293
5-amino-2-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 93091477

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide?
The IUPAC name of 4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide (CID 82771930) is 4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide.
What is the SMILES notation for 4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide?
The canonical SMILES for 4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide is CC(O)CNC(=O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide?
The InChIKey is JERREBOKOFMIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-5(15)4-14-10(16)6-2-9(13)7(11)3-8(6)12/h2-3,5,15H,4H2,1H3,(H,14,16).
What are the key properties of 4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide?
4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide has a molecular weight of 249.64 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide is sourced from PubChem (CID 82771930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).