4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide

C13H10BrClN2O — CID 80948919

IUPAC4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H10BrClN2O/c14-11-2-1-10(7-12(11)15)13(18)17-8-9-3-5-16-6-4-9/h1-7H,8H2,(H,17,18)
InChIKeyGGWYFUZEJPTFDU-UHFFFAOYSA-N
MW325.59 g/mol
LogP3.43
Rot. Bonds3

About 4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide

4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 80948919) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide
PubChem CID80948919
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC Name4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide
SMILESO=C(NCc1ccncc1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H10BrClN2O/c14-11-2-1-10(7-12(11)15)13(18)17-8-9-3-5-16-6-4-9/h1-7H,8H2,(H,17,18)
InChIKeyGGWYFUZEJPTFDU-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 113338678
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
4-bromo-3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 81002022
1-(4-bromo-3-chlorophenyl)-3-(pyridin-4-ylmethyl)thiourea
CID 100596259
4-bromo-3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 80972967
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzamide
CID 81295807
5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 43424452
N-(4-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81290247
4,5-dibromo-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 47099600
4-bromo-3-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 81307450
3-N-(2-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055210
4-bromo-3-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 80994028

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide (CID 80948919) is 4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide is O=C(NCc1ccncc1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is GGWYFUZEJPTFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c14-11-2-1-10(7-12(11)15)13(18)17-8-9-3-5-16-6-4-9/h1-7H,8H2,(H,17,18).
What are the key properties of 4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide?
4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 325.59 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 80948919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).