N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide

C15H10ClF2NO2 — CID 82773116

IUPACN-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(F)c(Cl)cc2F)c1
InChIInChI=1S/C15H10ClF2NO2/c1-8(20)9-3-2-4-10(5-9)19-15(21)11-6-14(18)12(16)7-13(11)17/h2-7H,1H3,(H,19,21)
InChIKeyCMLHBNIWAKWZQN-UHFFFAOYSA-N
MW309.70 g/mol
LogP4.07
Rot. Bonds3

About N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide

N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide (PubChem CID 82773116) has the molecular formula C15H10ClF2NO2 and a molecular weight of 309.70 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide
PubChem CID82773116
Molecular FormulaC15H10ClF2NO2
Molecular Weight309.70 g/mol
Exact Mass309.04
IUPAC NameN-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(F)c(Cl)cc2F)c1
InChIInChI=1S/C15H10ClF2NO2/c1-8(20)9-3-2-4-10(5-9)19-15(21)11-6-14(18)12(16)7-13(11)17/h2-7H,1H3,(H,19,21)
InChIKeyCMLHBNIWAKWZQN-UHFFFAOYSA-N
XLogP4.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 54.07
H-Bond Donors ≤ 51
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-(3-hydroxyphenyl)benzamide
CID 82771176
N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide
CID 34829216
4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide
CID 82772330
N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide
CID 9095798
3-chloro-4-fluoro-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 82876177
2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide
CID 78783752
N-(3-acetylphenyl)-3-chloro-4-hydroxybenzamide
CID 24710986
N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762
N-(3-acetylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 9095795
N-(3-aminosulfanylphenyl)-4,5-dichloro-2-fluorobenzamide
CID 144778756
N-(3-acetylphenyl)-5-amino-2-fluoro-3-methylbenzamide
CID 103296066
2-N-(3-acetylphenyl)-6-N-(3,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101017

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide?
The IUPAC name of N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide (CID 82773116) is N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide?
The canonical SMILES for N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide is CC(=O)c1cccc(NC(=O)c2cc(F)c(Cl)cc2F)c1.
What is the InChIKey of N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide?
The InChIKey is CMLHBNIWAKWZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO2/c1-8(20)9-3-2-4-10(5-9)19-15(21)11-6-14(18)12(16)7-13(11)17/h2-7H,1H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide?
N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide has a molecular weight of 309.70 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-chloro-2,5-difluorobenzamide is sourced from PubChem (CID 82773116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).