N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide

C20H12ClF2NO2 — CID 992682

IUPACN-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide
SMILESO=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C20H12ClF2NO2/c21-15-11-17(23)16(22)10-14(15)20(26)24-18-9-5-4-8-13(18)19(25)12-6-2-1-3-7-12/h1-11H,(H,24,26)
InChIKeyGRYOUZMUIPLMRI-UHFFFAOYSA-N
MW371.77 g/mol
LogP5.10
Rot. Bonds4

About N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide

N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide (PubChem CID 992682) has the molecular formula C20H12ClF2NO2 and a molecular weight of 371.77 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide
PubChem CID992682
Molecular FormulaC20H12ClF2NO2
Molecular Weight371.77 g/mol
Exact Mass371.05
IUPAC NameN-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide
SMILESO=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C20H12ClF2NO2/c21-15-11-17(23)16(22)10-14(15)20(26)24-18-9-5-4-8-13(18)19(25)12-6-2-1-3-7-12/h1-11H,(H,24,26)
InChIKeyGRYOUZMUIPLMRI-UHFFFAOYSA-N
XLogP5.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.77
LogP ≤ 55.10
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

N-(2-benzoylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4027115
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-2,4-dichlorobenzamide
CID 2342128
2-benzoyl-4,5-difluoro-N-phenylbenzamide
CID 70149608
N-(2-benzoyl-4-chlorophenyl)-2-chloro-5-iodobenzamide
CID 2295317
4-chloro-2-fluoro-5-[(2-methylphenyl)carbamoyl]benzoic acid
CID 171463767
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-(2-butan-2-ylphenyl)-2-chloro-4,5-difluorobenzamide
CID 4779890
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
N-(2-benzoylphenyl)-4-iodobenzamide
CID 76851682
2-chloro-4,5-difluoro-N-(3-hydroxyphenyl)benzamide
CID 78783752
N-(4-bromo-2-chlorophenyl)-2-chloro-4,5-difluorobenzamide
CID 3993061
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide?
The IUPAC name of N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide (CID 992682) is N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide is O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide?
The InChIKey is GRYOUZMUIPLMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF2NO2/c21-15-11-17(23)16(22)10-14(15)20(26)24-18-9-5-4-8-13(18)19(25)12-6-2-1-3-7-12/h1-11H,(H,24,26).
What are the key properties of N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide?
N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide has a molecular weight of 371.77 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide is sourced from PubChem (CID 992682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).