2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide

C15H7Cl3FN3O2 — CID 2797979

IUPAC2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide
SMILESN#Cc1cc(Cl)c(NC(=O)NC(=O)c2c(F)cccc2Cl)c(Cl)c1
InChIInChI=1S/C15H7Cl3FN3O2/c16-8-2-1-3-11(19)12(8)14(23)22-15(24)21-13-9(17)4-7(6-20)5-10(13)18/h1-5H,(H2,21,22,23,24)
InChIKeyZRKUVUURWLVDKE-UHFFFAOYSA-N
MW386.60 g/mol
LogP4.62
Rot. Bonds2

About 2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide

2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide (PubChem CID 2797979) has the molecular formula C15H7Cl3FN3O2 and a molecular weight of 386.60 g/mol. Its IUPAC name is 2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide
PubChem CID2797979
Molecular FormulaC15H7Cl3FN3O2
Molecular Weight386.60 g/mol
Exact Mass384.96
IUPAC Name2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide
SMILESN#Cc1cc(Cl)c(NC(=O)NC(=O)c2c(F)cccc2Cl)c(Cl)c1
InChIInChI=1S/C15H7Cl3FN3O2/c16-8-2-1-3-11(19)12(8)14(23)22-15(24)21-13-9(17)4-7(6-20)5-10(13)18/h1-5H,(H2,21,22,23,24)
InChIKeyZRKUVUURWLVDKE-UHFFFAOYSA-N
XLogP4.62
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.60
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide
CID 103811173
2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide
CID 69401733
2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide
CID 4052856
2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide
CID 2780073
2-chloro-N-(2-cyano-4-fluorophenyl)-6-fluorobenzamide
CID 82016640
2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide
CID 61119070
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
N-(4-bromo-2-cyanophenyl)-2-chloro-6-fluorobenzamide
CID 82707621
2-chloro-N-[6-(3-cyanoanilino)-3-pyridinyl]-6-fluorobenzamide
CID 113022787
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
N-(2,6-dichlorophenyl)-2-fluoro-6-hydroxybenzamide
CID 107015267

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide (CID 2797979) is 2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide is N#Cc1cc(Cl)c(NC(=O)NC(=O)c2c(F)cccc2Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide?
The InChIKey is ZRKUVUURWLVDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl3FN3O2/c16-8-2-1-3-11(19)12(8)14(23)22-15(24)21-13-9(17)4-7(6-20)5-10(13)18/h1-5H,(H2,21,22,23,24).
What are the key properties of 2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide?
2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide has a molecular weight of 386.60 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide is sourced from PubChem (CID 2797979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).