3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide

C15H16BrN3O — CID 61114914

IUPAC3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C15H16BrN3O/c1-2-19(10-11-5-7-18-8-6-11)15(20)12-3-4-13(16)14(17)9-12/h3-9H,2,10,17H2,1H3
InChIKeyNAGWEMTURBNGIQ-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.09
Rot. Bonds4

About 3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide

3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 61114914) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
PubChem CID61114914
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C15H16BrN3O/c1-2-19(10-11-5-7-18-8-6-11)15(20)12-3-4-13(16)14(17)9-12/h3-9H,2,10,17H2,1H3
InChIKeyNAGWEMTURBNGIQ-UHFFFAOYSA-N
XLogP3.09
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61104847
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
3-amino-4-bromo-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 61117454
3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82183845
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
3-amino-4-bromo-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63954686
3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide
CID 61443550
3-amino-N,N-diethyl-4-(pyridin-4-ylmethylamino)benzamide
CID 22181353
N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 130315749
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
N-[(4-aminophenyl)methyl]-3-bromo-N-ethyl-4-fluorobenzamide
CID 107948752
3-ethoxy-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 6466465

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide (CID 61114914) is 3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide is CCN(Cc1ccncc1)C(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is NAGWEMTURBNGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-2-19(10-11-5-7-18-8-6-11)15(20)12-3-4-13(16)14(17)9-12/h3-9H,2,10,17H2,1H3.
What are the key properties of 3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide?
3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 334.22 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 61114914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).