3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide

C15H15BrN2O — CID 104854747

IUPAC3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide
SMILESCCN(C(=O)c1cc(C)cc(Br)c1)c1ccncc1
InChIInChI=1S/C15H15BrN2O/c1-3-18(14-4-6-17-7-5-14)15(19)12-8-11(2)9-13(16)10-12/h4-10H,3H2,1-2H3
InChIKeyPSCCPXBQAQRVRY-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.82
Rot. Bonds3

About 3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide

3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide (PubChem CID 104854747) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide
PubChem CID104854747
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide
SMILESCCN(C(=O)c1cc(C)cc(Br)c1)c1ccncc1
InChIInChI=1S/C15H15BrN2O/c1-3-18(14-4-6-17-7-5-14)15(19)12-8-11(2)9-13(16)10-12/h4-10H,3H2,1-2H3
InChIKeyPSCCPXBQAQRVRY-UHFFFAOYSA-N
XLogP3.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3,5-dimethyl-N-phenylbenzamide
CID 134028664
3-bromo-5-chloro-N-ethyl-N-(4-methylphenyl)benzamide
CID 107952307
N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide
CID 103957153
2-chloro-N-ethyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 113236093
5-bromo-2-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 113236092
N-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide
CID 106937429
4-bromo-N-ethyl-1-propan-2-yl-N-pyridin-4-ylpyrrole-2-carboxamide
CID 103707553
3-bromo-N-ethyl-5-methyl-N-propan-2-ylbenzamide
CID 104851891
3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide
CID 113460748
3-bromo-N-ethyl-5-methyl-N-propylbenzamide
CID 104851893
5-bromo-N-ethyl-2-hydrazinyl-N-pyridin-4-ylpyridine-3-carboxamide
CID 106937594
N-ethyl-3-hydroxy-2-methyl-N-pyridin-4-ylbenzamide
CID 106936106

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide?
The IUPAC name of 3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide (CID 104854747) is 3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide is CCN(C(=O)c1cc(C)cc(Br)c1)c1ccncc1.
What is the InChIKey of 3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide?
The InChIKey is PSCCPXBQAQRVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-3-18(14-4-6-17-7-5-14)15(19)12-8-11(2)9-13(16)10-12/h4-10H,3H2,1-2H3.
What are the key properties of 3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide?
3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide has a molecular weight of 319.20 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 104854747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).