2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide

C13H7Cl3FNO — CID 26085744

IUPAC2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1c(F)cccc1Cl
InChIInChI=1S/C13H7Cl3FNO/c14-8-5-4-7(6-10(8)16)18-13(19)12-9(15)2-1-3-11(12)17/h1-6H,(H,18,19)
InChIKeyQHVRBCAPWYWVAZ-UHFFFAOYSA-N
MW318.56 g/mol
LogP5.04
Rot. Bonds2

About 2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide

2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide (PubChem CID 26085744) has the molecular formula C13H7Cl3FNO and a molecular weight of 318.56 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
PubChem CID26085744
Molecular FormulaC13H7Cl3FNO
Molecular Weight318.56 g/mol
Exact Mass316.96
IUPAC Name2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1c(F)cccc1Cl
InChIInChI=1S/C13H7Cl3FNO/c14-8-5-4-7(6-10(8)16)18-13(19)12-9(15)2-1-3-11(12)17/h1-6H,(H,18,19)
InChIKeyQHVRBCAPWYWVAZ-UHFFFAOYSA-N
XLogP5.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.56
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 115678055
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793467
2,6-dichloro-N-(3,4-difluorophenyl)benzamide
CID 4128288
3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
CID 23150024
2-chloro-6-fluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 2086523
N-(1,3-benzoxazol-6-yl)-2-chloro-6-fluorobenzamide
CID 110728878
N-[4-(aminomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 28754405
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297
2-chloro-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-fluorobenzamide
CID 49170067
2-chloro-6-fluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 110724904
2-chloro-6-fluoro-N-[3-(methanesulfonamido)-4-methylphenyl]benzamide
CID 2811607

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide (CID 26085744) is 2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide?
The InChIKey is QHVRBCAPWYWVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3FNO/c14-8-5-4-7(6-10(8)16)18-13(19)12-9(15)2-1-3-11(12)17/h1-6H,(H,18,19).
What are the key properties of 2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide?
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide has a molecular weight of 318.56 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide is sourced from PubChem (CID 26085744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).