2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide

C14H7Cl2FN2O — CID 103811173

IUPAC2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide
SMILESN#Cc1ccc(NC(=O)c2c(F)cccc2Cl)c(Cl)c1
InChIInChI=1S/C14H7Cl2FN2O/c15-9-2-1-3-11(17)13(9)14(20)19-12-5-4-8(7-18)6-10(12)16/h1-6H,(H,19,20)
InChIKeyCALQLTSEQOBHGY-UHFFFAOYSA-N
MW309.13 g/mol
LogP4.26
Rot. Bonds2

About 2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide

2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide (PubChem CID 103811173) has the molecular formula C14H7Cl2FN2O and a molecular weight of 309.13 g/mol. Its IUPAC name is 2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide
PubChem CID103811173
Molecular FormulaC14H7Cl2FN2O
Molecular Weight309.13 g/mol
Exact Mass307.99
IUPAC Name2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide
SMILESN#Cc1ccc(NC(=O)c2c(F)cccc2Cl)c(Cl)c1
InChIInChI=1S/C14H7Cl2FN2O/c15-9-2-1-3-11(17)13(9)14(20)19-12-5-4-8(7-18)6-10(12)16/h1-6H,(H,19,20)
InChIKeyCALQLTSEQOBHGY-UHFFFAOYSA-N
XLogP4.26
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-cyanophenyl)-2,6-dihydroxybenzamide
CID 107808194
2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide
CID 82016640
N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide
CID 82707621
2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide
CID 2797979
N-(2-chloro-4-cyanophenyl)-2-fluoro-3-methylbenzamide
CID 103811028
3-chloro-N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 107143579
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070
2,5-dichloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799731
N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide
CID 107688649
2,6-dichloro-N-(2,4-dichlorophenyl)benzamide
CID 3637585
N-(2-chloro-4-cyanophenyl)-3-(2,4-difluorophenyl)benzamide
CID 174160226

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide (CID 103811173) is 2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide is N#Cc1ccc(NC(=O)c2c(F)cccc2Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide?
The InChIKey is CALQLTSEQOBHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2FN2O/c15-9-2-1-3-11(17)13(9)14(20)19-12-5-4-8(7-18)6-10(12)16/h1-6H,(H,19,20).
What are the key properties of 2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide?
2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide has a molecular weight of 309.13 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide is sourced from PubChem (CID 103811173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).