N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide

C16H17BrN2O — CID 43459287

IUPACN-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide
SMILESCCN(Cc1ccccc1N)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-2-19(11-13-5-3-4-6-15(13)18)16(20)12-7-9-14(17)10-8-12/h3-10H,2,11,18H2,1H3
InChIKeyGUBNTYLPCFXICU-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.69
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide

N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide (PubChem CID 43459287) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide
PubChem CID43459287
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide
SMILESCCN(Cc1ccccc1N)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H17BrN2O/c1-2-19(11-13-5-3-4-6-15(13)18)16(20)12-7-9-14(17)10-8-12/h3-10H,2,11,18H2,1H3
InChIKeyGUBNTYLPCFXICU-UHFFFAOYSA-N
XLogP3.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide
CID 60962959
N-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide
CID 79803210
N-[(2-aminophenyl)methyl]-N-ethyl-2-methylbutanamide
CID 43459253
N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-4-fluorobenzamide
CID 55594555
4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide
CID 43587256
N-[(2-aminophenyl)methyl]-N-ethyl-2,5-dimethylfuran-3-carboxamide
CID 43459243
N-[(2-aminophenyl)methyl]-2,4-dichloro-N-ethylbenzamide
CID 43459183
4-amino-N-[(2-chlorophenyl)methyl]-N-ethyl-3-hydroxybenzamide
CID 107074472
N-benzyl-4-carbamothioyl-N-ethylbenzamide
CID 28983877
N-[(2-aminophenyl)methyl]-N-ethylheptanamide
CID 114751955
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide
CID 60923256
N-[(2-aminophenyl)methyl]-3-ethoxy-N-ethylpropanamide
CID 62589527

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide (CID 43459287) is N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide is CCN(Cc1ccccc1N)C(=O)c1ccc(Br)cc1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide?
The InChIKey is GUBNTYLPCFXICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-2-19(11-13-5-3-4-6-15(13)18)16(20)12-7-9-14(17)10-8-12/h3-10H,2,11,18H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide?
N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide has a molecular weight of 333.23 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide is sourced from PubChem (CID 43459287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).