2-(2-amino-N-ethylanilino)-N-(4-bromophenyl)acetamide

C16H18BrN3O — CID 62102482

IUPAC2-(2-amino-N-ethylanilino)-N-(4-bromophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)cc1)c1ccccc1N
InChIInChI=1S/C16H18BrN3O/c1-2-20(15-6-4-3-5-14(15)18)11-16(21)19-13-9-7-12(17)8-10-13/h3-10H,2,11,18H2,1H3,(H,19,21)
InChIKeyDGVUKSPGFJUTSK-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.50
Rot. Bonds5

About 2-(2-amino-N-ethylanilino)-N-(4-bromophenyl)acetamide

2-(2-amino-N-ethylanilino)-N-(4-bromophenyl)acetamide (PubChem CID 62102482) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-(2-amino-N-ethylanilino)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-N-ethylanilino)-N-(4-bromophenyl)acetamide
PubChem CID62102482
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name2-(2-amino-N-ethylanilino)-N-(4-bromophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)cc1)c1ccccc1N
InChIInChI=1S/C16H18BrN3O/c1-2-20(15-6-4-3-5-14(15)18)11-16(21)19-13-9-7-12(17)8-10-13/h3-10H,2,11,18H2,1H3,(H,19,21)
InChIKeyDGVUKSPGFJUTSK-UHFFFAOYSA-N
XLogP3.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-amino-N-ethylanilino)acetate
CID 62102481
3-(2-amino-N-ethylanilino)-N-methylpropanamide
CID 62324074
2-[(4-aminophenyl)methyl-methylamino]-N-(4-bromophenyl)acetamide
CID 43458291
2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide
CID 66183425
N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46562888
2-[acetyl(cyclopropyl)amino]-N-(4-bromophenyl)acetamide
CID 113158424
3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide
CID 61091327
N-(4-bromophenyl)-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 2290689
2-[[2-(4-bromoanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442287
2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide
CID 43459401
N-(3-aminophenyl)-2-(N-ethylanilino)acetamide
CID 16790236
2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 27133835

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-ethylanilino)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(2-amino-N-ethylanilino)-N-(4-bromophenyl)acetamide (CID 62102482) is 2-(2-amino-N-ethylanilino)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-N-ethylanilino)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(2-amino-N-ethylanilino)-N-(4-bromophenyl)acetamide is CCN(CC(=O)Nc1ccc(Br)cc1)c1ccccc1N.
What is the InChIKey of 2-(2-amino-N-ethylanilino)-N-(4-bromophenyl)acetamide?
The InChIKey is DGVUKSPGFJUTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-2-20(15-6-4-3-5-14(15)18)11-16(21)19-13-9-7-12(17)8-10-13/h3-10H,2,11,18H2,1H3,(H,19,21).
What are the key properties of 2-(2-amino-N-ethylanilino)-N-(4-bromophenyl)acetamide?
2-(2-amino-N-ethylanilino)-N-(4-bromophenyl)acetamide has a molecular weight of 348.24 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-ethylanilino)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 62102482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).