4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide

C13H11BrClN3O — CID 75446192

IUPAC4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CNc2cnc(Cl)c(Br)c2)cc1
InChIInChI=1S/C13H11BrClN3O/c14-11-5-10(7-18-12(11)15)17-6-8-1-3-9(4-2-8)13(16)19/h1-5,7,17H,6H2,(H2,16,19)
InChIKeyQCAHIUCFUZUOJS-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.21
Rot. Bonds4

About 4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide

4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide (PubChem CID 75446192) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide
PubChem CID75446192
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CNc2cnc(Cl)c(Br)c2)cc1
InChIInChI=1S/C13H11BrClN3O/c14-11-5-10(7-18-12(11)15)17-6-8-1-3-9(4-2-8)13(16)19/h1-5,7,17H,6H2,(H2,16,19)
InChIKeyQCAHIUCFUZUOJS-UHFFFAOYSA-N
XLogP3.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(3,4-dichloroanilino)methyl]benzamide
CID 28577960
4-[(3,4-dibromophenyl)methylamino]benzamide
CID 115753010
5-bromo-6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyridin-3-amine
CID 103930523
5-bromo-6-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pyridin-3-amine
CID 103930553
4-[(4-bromo-2,3-dichloroanilino)methyl]benzamide
CID 104589264
4-[(3-methylanilino)methyl]benzamide
CID 28564307
4-[(2-bromo-5-fluoroanilino)methyl]benzamide
CID 103750683
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879
2-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]-4-chlorophenol
CID 114050301
3-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzonitrile
CID 113353612
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
N-(5-bromo-6-chloro-3-pyridinyl)-4-methylbenzamide
CID 113267904

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide?
The IUPAC name of 4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide (CID 75446192) is 4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide.
What is the SMILES notation for 4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide?
The canonical SMILES for 4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide is NC(=O)c1ccc(CNc2cnc(Cl)c(Br)c2)cc1.
What is the InChIKey of 4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide?
The InChIKey is QCAHIUCFUZUOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c14-11-5-10(7-18-12(11)15)17-6-8-1-3-9(4-2-8)13(16)19/h1-5,7,17H,6H2,(H2,16,19).
What are the key properties of 4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide?
4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide has a molecular weight of 340.61 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide is sourced from PubChem (CID 75446192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).