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

C10H8ClF2NO2 — CID 82772458

IUPAC4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C10H8ClF2NO2/c1-5(15)4-14-10(16)6-2-9(13)7(11)3-8(6)12/h2-3H,4H2,1H3,(H,14,16)
InChIKeyWZLREBNGNOQWAX-UHFFFAOYSA-N
MW247.63 g/mol
LogP1.94
Rot. Bonds3

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

4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide (PubChem CID 82772458) has the molecular formula C10H8ClF2NO2 and a molecular weight of 247.63 g/mol. Its IUPAC name is 4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide.

Molecular Properties

Compound Name4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide
PubChem CID82772458
Molecular FormulaC10H8ClF2NO2
Molecular Weight247.63 g/mol
Exact Mass247.02
IUPAC Name4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C10H8ClF2NO2/c1-5(15)4-14-10(16)6-2-9(13)7(11)3-8(6)12/h2-3H,4H2,1H3,(H,14,16)
InChIKeyWZLREBNGNOQWAX-UHFFFAOYSA-N
XLogP1.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.63
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 82772630
4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide
CID 82771930
N-(3-bromo-2,2-dimethylpropyl)-4-chloro-2,5-difluorobenzamide
CID 82773293
4-chloro-2,5-difluoro-N-[(E)-pent-3-enyl]benzamide
CID 115868338
N-(4-aminobutyl)-4-chloro-2,5-difluorobenzamide
CID 82783569
4-chloro-2,5-difluoro-N-(5-hydroxypentyl)benzamide
CID 107318738
4-chloro-2,5-difluoro-N-(2-hydroxypentyl)benzamide
CID 115869290
4-[(4-chloro-2,5-difluorobenzoyl)amino]-3-methylbutanoic acid
CID 82782525
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
1-(4-chloro-2,5-difluorophenyl)-2-(methylamino)ethanone
CID 84787100
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide
CID 106165772
ethyl 3-[(4-chloro-2,5-difluorobenzoyl)amino]propanoate
CID 82773162

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide?
The IUPAC name of 4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide (CID 82772458) is 4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide.
What is the SMILES notation for 4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide?
The canonical SMILES for 4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide is CC(=O)CNC(=O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide?
The InChIKey is WZLREBNGNOQWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2NO2/c1-5(15)4-14-10(16)6-2-9(13)7(11)3-8(6)12/h2-3H,4H2,1H3,(H,14,16).
What are the key properties of 4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide?
4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide has a molecular weight of 247.63 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-difluoro-N-(2-oxopropyl)benzamide is sourced from PubChem (CID 82772458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).