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

C14H13BrN2O — CID 113338678

IUPAC4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCc2ccncc2)ccc1Br
InChIInChI=1S/C14H13BrN2O/c1-10-8-12(2-3-13(10)15)14(18)17-9-11-4-6-16-7-5-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyRKQPKCPHRAIQMT-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.08
Rot. Bonds3

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

4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 113338678) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID113338678
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1cc(C(=O)NCc2ccncc2)ccc1Br
InChIInChI=1S/C14H13BrN2O/c1-10-8-12(2-3-13(10)15)14(18)17-9-11-4-6-16-7-5-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyRKQPKCPHRAIQMT-UHFFFAOYSA-N
XLogP3.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide
CID 80948919
3-methoxy-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 23530638
4-bromo-N-ethyl-3-methylbenzamide
CID 18712023
4-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213355
2-[(4-bromo-3-methylbenzoyl)amino]acetic acid
CID 7303366
4-bromo-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 112705937
4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 115770341
4-bromo-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzamide
CID 105357575
4-bromo-3-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 67386076
5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283613
4-bromo-3-methyl-N-prop-2-ynylbenzamide
CID 115769506
5-bromo-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 43424452

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide (CID 113338678) is 4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide is Cc1cc(C(=O)NCc2ccncc2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is RKQPKCPHRAIQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-10-8-12(2-3-13(10)15)14(18)17-9-11-4-6-16-7-5-11/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide?
4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 305.18 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 113338678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).