2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide

C15H9ClF4N2O2 — CID 69401733

IUPAC2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1Cl)Nc1ccc(C(F)F)cc1F
InChIInChI=1S/C15H9ClF4N2O2/c16-8-2-1-3-9(17)12(8)14(23)22-15(24)21-11-5-4-7(13(19)20)6-10(11)18/h1-6,13H,(H2,21,22,23,24)
InChIKeyDHBSPJSVRWNXJO-UHFFFAOYSA-N
MW360.69 g/mol
LogP4.52
Rot. Bonds3

About 2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide

2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide (PubChem CID 69401733) has the molecular formula C15H9ClF4N2O2 and a molecular weight of 360.69 g/mol. Its IUPAC name is 2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide
PubChem CID69401733
Molecular FormulaC15H9ClF4N2O2
Molecular Weight360.69 g/mol
Exact Mass360.03
IUPAC Name2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide
SMILESO=C(NC(=O)c1c(F)cccc1Cl)Nc1ccc(C(F)F)cc1F
InChIInChI=1S/C15H9ClF4N2O2/c16-8-2-1-3-9(17)12(8)14(23)22-15(24)21-11-5-4-7(13(19)20)6-10(11)18/h1-6,13H,(H2,21,22,23,24)
InChIKeyDHBSPJSVRWNXJO-UHFFFAOYSA-N
XLogP4.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.69
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide
CID 4052856
2,6-difluoro-N-[(2-fluoro-4-iodophenyl)carbamoyl]benzamide
CID 15592636
2-chloro-N-[(2,6-dichloro-4-cyanophenyl)carbamoyl]-6-fluorobenzamide
CID 2797979
2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide
CID 2780073
2,6-difluoro-N-[(2-fluoro-4-prop-2-ynylsulfanylphenyl)carbamoyl]benzamide
CID 87813330
2,6-difluoro-N-[[2-fluoro-4-(trifluoromethylsulfanyl)phenyl]carbamoyl]benzamide
CID 23034853
2-chloro-N-[[2-(cyclopropylmethylcarbamoyl)phenyl]carbamoyl]-6-fluorobenzamide
CID 2799401
2,6-difluoro-N-[[2-fluoro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]benzamide
CID 14823060
N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 18793633
2-chloro-6-fluoro-N-[1-(4-pyrrol-1-ylphenyl)ethyl]benzamide
CID 56725306
2,6-difluoro-N-[[2-fluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-ylsulfanyl)phenyl]carbamoyl]benzamide
CID 23034891
N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide
CID 1279612

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide (CID 69401733) is 2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide is O=C(NC(=O)c1c(F)cccc1Cl)Nc1ccc(C(F)F)cc1F.
What is the InChIKey of 2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide?
The InChIKey is DHBSPJSVRWNXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4N2O2/c16-8-2-1-3-9(17)12(8)14(23)22-15(24)21-11-5-4-7(13(19)20)6-10(11)18/h1-6,13H,(H2,21,22,23,24).
What are the key properties of 2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide?
2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide has a molecular weight of 360.69 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide is sourced from PubChem (CID 69401733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).