4-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide

C21H16BrCl2FN2O — CID 146456811

IUPAC4-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(F)ccc1-c1cc(CBr)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C21H16BrCl2FN2O/c1-12-6-15(25)3-4-16(12)19-8-14(10-22)9-20(27-19)21(28)26-11-13-2-5-17(23)18(24)7-13/h2-9H,10-11H2,1H3,(H,26,28)
InChIKeyUHOWLUHEMSQXJG-UHFFFAOYSA-N
MW482.18 g/mol
LogP6.33
Rot. Bonds5

About 4-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide

4-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 146456811) has the molecular formula C21H16BrCl2FN2O and a molecular weight of 482.18 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide
PubChem CID146456811
Molecular FormulaC21H16BrCl2FN2O
Molecular Weight482.18 g/mol
Exact Mass479.98
IUPAC Name4-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1cc(F)ccc1-c1cc(CBr)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C21H16BrCl2FN2O/c1-12-6-15(25)3-4-16(12)19-8-14(10-22)9-20(27-19)21(28)26-11-13-2-5-17(23)18(24)7-13/h2-9H,10-11H2,1H3,(H,26,28)
InChIKeyUHOWLUHEMSQXJG-UHFFFAOYSA-N
XLogP6.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.18
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(bromomethyl)-N-[(4-chloro-3-methylphenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 146457797
4-(bromomethyl)-N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 146456188
3-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(2,4-difluoro-6-methylphenyl)benzamide
CID 146456239
N-[(3,4-dichlorophenyl)methyl]-6-(6-fluoro-2-methyl-3-pyridinyl)-4-[(2-methylimidazol-1-yl)methyl]pyridine-2-carboxamide
CID 146370810
[2-[(3,4-dichlorophenyl)methylcarbamoyl]-6-(2-ethoxy-5-methyl-3-pyridinyl)-4-pyridinyl]methylcarbamic acid
CID 146371118
N-[[4-(bromomethyl)phenyl]methyl]-5-fluoropyridine-2-carboxamide
CID 107233891
tert-butyl N-[[2-chloro-6-[(3,4-dichlorophenyl)methylcarbamoyl]-4-pyridinyl]methyl]carbamate
CID 146388370
N-[[3-(bromomethyl)phenyl]methyl]-2-chloro-4-fluorobenzamide
CID 114312951
tert-butyl N-[[2-(5-chloro-2-methoxy-3-pyridinyl)-6-[(3,4-dichlorophenyl)methylcarbamoyl]-4-pyridinyl]methyl]carbamate
CID 153453514
tert-butyl N-[[2-chloro-6-[(4-chloro-3-methylphenyl)methylcarbamoyl]-4-pyridinyl]methyl]carbamate
CID 153453641
3-(aminomethyl)-N-[(3,4-dichlorophenyl)methyl]-5-(6-fluoro-2-methyl-3-pyridinyl)benzamide
CID 146370787
N-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide
CID 113268545

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide (CID 146456811) is 4-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide is Cc1cc(F)ccc1-c1cc(CBr)cc(C(=O)NCc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 4-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is UHOWLUHEMSQXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrCl2FN2O/c1-12-6-15(25)3-4-16(12)19-8-14(10-22)9-20(27-19)21(28)26-11-13-2-5-17(23)18(24)7-13/h2-9H,10-11H2,1H3,(H,26,28).
What are the key properties of 4-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide?
4-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide has a molecular weight of 482.18 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[(3,4-dichlorophenyl)methyl]-6-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 146456811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).