2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide

C19H16BrN3O — CID 112983013

IUPAC2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
SMILESO=C(Nc1ccc(NCc2cccnc2)cc1)c1ccccc1Br
InChIInChI=1S/C19H16BrN3O/c20-18-6-2-1-5-17(18)19(24)23-16-9-7-15(8-10-16)22-13-14-4-3-11-21-12-14/h1-12,22H,13H2,(H,23,24)
InChIKeyLDTGYPAXMLJAFK-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.71
Rot. Bonds5

About 2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide

2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide (PubChem CID 112983013) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is 2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
PubChem CID112983013
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC Name2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
SMILESO=C(Nc1ccc(NCc2cccnc2)cc1)c1ccccc1Br
InChIInChI=1S/C19H16BrN3O/c20-18-6-2-1-5-17(18)19(24)23-16-9-7-15(8-10-16)22-13-14-4-3-11-21-12-14/h1-12,22H,13H2,(H,23,24)
InChIKeyLDTGYPAXMLJAFK-UHFFFAOYSA-N
XLogP4.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 112983018
1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea
CID 113027801
N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191420
2-bromo-N-[4-(hydroxymethyl)phenyl]benzamide
CID 64792802
N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997
N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213139
3-phenoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]propanamide
CID 112983036
1-phenyl-3-[4-(pyridin-3-ylmethylamino)phenyl]-1-pyrimidin-5-ylurea
CID 68640144
N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121053
3-bromo-4-methyl-N-(pyridin-3-ylmethyl)aniline
CID 39375964
2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983118
N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157895

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide (CID 112983013) is 2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide is O=C(Nc1ccc(NCc2cccnc2)cc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide?
The InChIKey is LDTGYPAXMLJAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c20-18-6-2-1-5-17(18)19(24)23-16-9-7-15(8-10-16)22-13-14-4-3-11-21-12-14/h1-12,22H,13H2,(H,23,24).
What are the key properties of 2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide?
2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide has a molecular weight of 382.26 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide is sourced from PubChem (CID 112983013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).