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

C19H12Cl3FN2O — CID 59672600

IUPAC4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(-c2ncccc2Cl)c(F)c1
InChIInChI=1S/C19H12Cl3FN2O/c20-14-6-3-11(8-16(14)22)10-25-19(26)12-4-5-13(17(23)9-12)18-15(21)2-1-7-24-18/h1-9H,10H2,(H,25,26)
InChIKeyDSAHJBMCPNZJFA-UHFFFAOYSA-N
MW409.68 g/mol
LogP5.78
Rot. Bonds4

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

4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide (PubChem CID 59672600) has the molecular formula C19H12Cl3FN2O and a molecular weight of 409.68 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide
PubChem CID59672600
Molecular FormulaC19H12Cl3FN2O
Molecular Weight409.68 g/mol
Exact Mass408.00
IUPAC Name4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(-c2ncccc2Cl)c(F)c1
InChIInChI=1S/C19H12Cl3FN2O/c20-14-6-3-11(8-16(14)22)10-25-19(26)12-4-5-13(17(23)9-12)18-15(21)2-1-7-24-18/h1-9H,10H2,(H,25,26)
InChIKeyDSAHJBMCPNZJFA-UHFFFAOYSA-N
XLogP5.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.68
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[(3-fluorophenyl)methyl]-4-(3-hydroxy-2-pyridinyl)benzamide
CID 143032440
4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 59673505
N-(4-acetamidophenyl)-4-(3-chloro-2-pyridinyl)-3-fluorobenzamide
CID 59673213
4-(3-chloro-2-pyridinyl)-N-cyclopropyl-3-fluorobenzamide
CID 59672610
4-(3-chloro-2-pyridinyl)-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 59672637
N-[(3-chloro-4-fluorophenyl)methyl]-2-fluoropyridine-4-carboxamide
CID 62537287
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 107518917
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
3,4-dichloro-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166236
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-fluorobenzamide
CID 103707226
N-[(3-chloro-4-fluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107028470
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292199

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide (CID 59672600) is 4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide is O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(-c2ncccc2Cl)c(F)c1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide?
The InChIKey is DSAHJBMCPNZJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl3FN2O/c20-14-6-3-11(8-16(14)22)10-25-19(26)12-4-5-13(17(23)9-12)18-15(21)2-1-7-24-18/h1-9H,10H2,(H,25,26).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide?
4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide has a molecular weight of 409.68 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide is sourced from PubChem (CID 59672600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).