3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide

C19H11Cl4FN2O — CID 145056345

IUPAC3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide
SMILESO=C(NC(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cn1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H11Cl4FN2O/c20-12-3-6-17(25-9-12)18(10-1-4-13(21)14(22)7-10)26-19(27)11-2-5-16(24)15(23)8-11/h1-9,18H,(H,26,27)
InChIKeyALKGNTQLVMWJRY-UHFFFAOYSA-N
MW444.12 g/mol
LogP6.35
Rot. Bonds4

About 3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide

3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide (PubChem CID 145056345) has the molecular formula C19H11Cl4FN2O and a molecular weight of 444.12 g/mol. Its IUPAC name is 3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide
PubChem CID145056345
Molecular FormulaC19H11Cl4FN2O
Molecular Weight444.12 g/mol
Exact Mass441.96
IUPAC Name3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide
SMILESO=C(NC(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cn1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H11Cl4FN2O/c20-12-3-6-17(25-9-12)18(10-1-4-13(21)14(22)7-10)26-19(27)11-2-5-16(24)15(23)8-11/h1-9,18H,(H,26,27)
InChIKeyALKGNTQLVMWJRY-UHFFFAOYSA-N
XLogP6.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.12
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(S)-(3-chloro-4-fluorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyanobenzamide
CID 130288359
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-fluorobenzamide
CID 130288340
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]benzamide
CID 130288420
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-(2-hydroxyethoxy)-3-methylbenzamide
CID 130288596
1-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-cyano-3-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 145056400
N-[(S)-(4-chlorophenyl)-(5-chloro-2-pyridinyl)methyl]-4-cyano-3,5-difluorobenzamide
CID 130288434
N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-isocyanothiophene-2-carboxamide
CID 140801895
4-chloro-N-[(S)-(5-chloro-3-fluoro-2-pyridinyl)-(4-chlorophenyl)methyl]-3-methylbenzamide
CID 130288181
2-(3-chlorophenyl)-N-[(S)-(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-oxopentanamide
CID 158750255
N-[(S)-(5-chloro-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]-4-cyano-3-fluorobenzamide
CID 130288151
N-[(R)-(5-bromo-2-pyridinyl)-(4-chlorophenyl)methyl]-4-cyano-3-methylbenzamide
CID 121264758
3-chloro-N-(1-chloropropan-2-yl)-4-fluorobenzamide
CID 82879716

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide?
The IUPAC name of 3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide (CID 145056345) is 3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for 3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide?
The canonical SMILES for 3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide is O=C(NC(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cn1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide?
The InChIKey is ALKGNTQLVMWJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl4FN2O/c20-12-3-6-17(25-9-12)18(10-1-4-13(21)14(22)7-10)26-19(27)11-2-5-16(24)15(23)8-11/h1-9,18H,(H,26,27).
What are the key properties of 3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide?
3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide has a molecular weight of 444.12 g/mol, XLogP of 6.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-chloro-2-pyridinyl)-(3,4-dichlorophenyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 145056345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).