2,6-dichloro-N-(3,4-difluorophenyl)benzamide

C13H7Cl2F2NO — CID 4128288

IUPAC2,6-dichloro-N-(3,4-difluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H7Cl2F2NO/c14-8-2-1-3-9(15)12(8)13(19)18-7-4-5-10(16)11(17)6-7/h1-6H,(H,18,19)
InChIKeyKBWHFTMZRACKLK-UHFFFAOYSA-N
MW302.11 g/mol
LogP4.52
Rot. Bonds2

About 2,6-dichloro-N-(3,4-difluorophenyl)benzamide

2,6-dichloro-N-(3,4-difluorophenyl)benzamide (PubChem CID 4128288) has the molecular formula C13H7Cl2F2NO and a molecular weight of 302.11 g/mol. Its IUPAC name is 2,6-dichloro-N-(3,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(3,4-difluorophenyl)benzamide
PubChem CID4128288
Molecular FormulaC13H7Cl2F2NO
Molecular Weight302.11 g/mol
Exact Mass300.99
IUPAC Name2,6-dichloro-N-(3,4-difluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H7Cl2F2NO/c14-8-2-1-3-9(15)12(8)13(19)18-7-4-5-10(16)11(17)6-7/h1-6H,(H,18,19)
InChIKeyKBWHFTMZRACKLK-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-6-chloro-N-(3,4-difluorophenyl)benzamide
CID 63660522
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-amino-6-chloro-N-(3,4,5-trifluorophenyl)benzamide
CID 63658626
N'-(2,3-dichlorophenyl)-N-(3,4-difluorophenyl)oxamide
CID 108987778
2-chloro-6-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793467
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
3-[(2-chloro-6-fluorobenzoyl)amino]benzoyl chloride
CID 23150024
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
5-(2,6-dichloroanilino)-N-(3,4-difluorophenyl)pyrazine-2-carboxamide
CID 109294618
N-(4-bromo-3-methylphenyl)-2,6-dichlorobenzamide
CID 3367172
2-chloro-N-(3,4-difluorophenyl)-5-sulfanylbenzamide
CID 107020863

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3,4-difluorophenyl)benzamide?
The IUPAC name of 2,6-dichloro-N-(3,4-difluorophenyl)benzamide (CID 4128288) is 2,6-dichloro-N-(3,4-difluorophenyl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(3,4-difluorophenyl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(3,4-difluorophenyl)benzamide is O=C(Nc1ccc(F)c(F)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(3,4-difluorophenyl)benzamide?
The InChIKey is KBWHFTMZRACKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F2NO/c14-8-2-1-3-9(15)12(8)13(19)18-7-4-5-10(16)11(17)6-7/h1-6H,(H,18,19).
What are the key properties of 2,6-dichloro-N-(3,4-difluorophenyl)benzamide?
2,6-dichloro-N-(3,4-difluorophenyl)benzamide has a molecular weight of 302.11 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3,4-difluorophenyl)benzamide is sourced from PubChem (CID 4128288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).