2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide

C20H14Cl2FN3O2 — CID 13242696

IUPAC2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide
SMILESCc1nc(NC(=O)NC(=O)c2c(F)cccc2Cl)ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H14Cl2FN3O2/c1-11-14(12-5-7-13(21)8-6-12)9-10-17(24-11)25-20(28)26-19(27)18-15(22)3-2-4-16(18)23/h2-10H,1H3,(H2,24,25,26,27,28)
InChIKeyVOZLZUIZWZNHDY-UHFFFAOYSA-N
MW418.26 g/mol
LogP5.46
Rot. Bonds3

About 2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide

2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide (PubChem CID 13242696) has the molecular formula C20H14Cl2FN3O2 and a molecular weight of 418.26 g/mol. Its IUPAC name is 2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide
PubChem CID13242696
Molecular FormulaC20H14Cl2FN3O2
Molecular Weight418.26 g/mol
Exact Mass417.04
IUPAC Name2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide
SMILESCc1nc(NC(=O)NC(=O)c2c(F)cccc2Cl)ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H14Cl2FN3O2/c1-11-14(12-5-7-13(21)8-6-12)9-10-17(24-11)25-20(28)26-19(27)18-15(22)3-2-4-16(18)23/h2-10H,1H3,(H2,24,25,26,27,28)
InChIKeyVOZLZUIZWZNHDY-UHFFFAOYSA-N
XLogP5.46
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.26
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide
CID 13242717
N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 82330961
2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide
CID 54087220
2,6-dichloro-N-[(5-chloro-2-pyridinyl)carbamoyl]benzamide
CID 23345083
2-chloro-6-fluoro-N-[[(6-methylpyridazin-3-yl)amino]carbamoyl]benzamide
CID 6409882
ethyl 5-[(2-chloro-6-fluorobenzoyl)carbamoylamino]-2-methyl-1,3-oxazole-4-carboxylate
CID 15582695
N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134117338
2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide
CID 4052856
N-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2,6-difluorobenzamide
CID 134095579
2-chloro-6-fluoro-N-(1,2,2-trichloroethenylcarbamoyl)benzamide
CID 2780073
2-chloro-N-(6-chloropyrazin-2-yl)-6-fluorobenzamide
CID 113456731
2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide
CID 15452397

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide (CID 13242696) is 2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide is Cc1nc(NC(=O)NC(=O)c2c(F)cccc2Cl)ccc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide?
The InChIKey is VOZLZUIZWZNHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2FN3O2/c1-11-14(12-5-7-13(21)8-6-12)9-10-17(24-11)25-20(28)26-19(27)18-15(22)3-2-4-16(18)23/h2-10H,1H3,(H2,24,25,26,27,28).
What are the key properties of 2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide?
2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide has a molecular weight of 418.26 g/mol, XLogP of 5.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide is sourced from PubChem (CID 13242696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).