2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide

C19H14BrClN2O — CID 78849670

IUPAC2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccncc1)c1cc(Cl)ccc1Br
InChIInChI=1S/C19H14BrClN2O/c20-17-7-6-15(21)12-16(17)19(24)23-18(13-4-2-1-3-5-13)14-8-10-22-11-9-14/h1-12,18H,(H,23,24)
InChIKeyVYZLQGRCNCOWBH-UHFFFAOYSA-N
MW401.69 g/mol
LogP5.02
Rot. Bonds4

About 2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide

2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide (PubChem CID 78849670) has the molecular formula C19H14BrClN2O and a molecular weight of 401.69 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide
PubChem CID78849670
Molecular FormulaC19H14BrClN2O
Molecular Weight401.69 g/mol
Exact Mass400.00
IUPAC Name2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccncc1)c1cc(Cl)ccc1Br
InChIInChI=1S/C19H14BrClN2O/c20-17-7-6-15(21)12-16(17)19(24)23-18(13-4-2-1-3-5-13)14-8-10-22-11-9-14/h1-12,18H,(H,23,24)
InChIKeyVYZLQGRCNCOWBH-UHFFFAOYSA-N
XLogP5.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.69
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-fluoro-N-[(S)-phenyl(pyridin-4-yl)methyl]benzamide
CID 95278071
N-[phenyl(pyridin-4-yl)methyl]pyridine-2-carboxamide
CID 47007723
2,5-dichloro-N-[(4-methoxyphenyl)-phenylmethyl]benzamide
CID 16559317
2-chloro-5-(dimethylsulfamoyl)-N-[(R)-phenyl(pyridin-4-yl)methyl]benzamide
CID 25393397
2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
N-benzhydryl-2,4,5-trimethylbenzamide
CID 100710488
2-bromo-5-chloro-N-(5-chloro-2-pyridinyl)benzamide
CID 103611566
2-bromo-N-(3-bromo-4-pyridinyl)-5-chlorobenzamide
CID 103871194
N-benzhydryl-2-bromo-4-fluorobenzamide
CID 9192491
5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 93157403
2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide
CID 114300057
2-bromo-N-but-3-en-2-yl-5-chlorobenzamide
CID 103750071

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide?
The IUPAC name of 2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide (CID 78849670) is 2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide is O=C(NC(c1ccccc1)c1ccncc1)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide?
The InChIKey is VYZLQGRCNCOWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrClN2O/c20-17-7-6-15(21)12-16(17)19(24)23-18(13-4-2-1-3-5-13)14-8-10-22-11-9-14/h1-12,18H,(H,23,24).
What are the key properties of 2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide?
2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide has a molecular weight of 401.69 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-[phenyl(pyridin-4-yl)methyl]benzamide is sourced from PubChem (CID 78849670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).