2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylacetamide

C12H17BrN2O — CID 75513992

IUPAC2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ccc(C)cc1Br
InChIInChI=1S/C12H17BrN2O/c1-3-15-12(16)8-14-7-10-5-4-9(2)6-11(10)13/h4-6,14H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyPSDPWXGGUYXHBB-UHFFFAOYSA-N
MW285.19 g/mol
LogP1.98
Rot. Bonds5

About 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylacetamide

2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylacetamide (PubChem CID 75513992) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylacetamide
PubChem CID75513992
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ccc(C)cc1Br
InChIInChI=1S/C12H17BrN2O/c1-3-15-12(16)8-14-7-10-5-4-9(2)6-11(10)13/h4-6,14H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyPSDPWXGGUYXHBB-UHFFFAOYSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromobenzyl)acetamide
CID 2824953
(2S)-2-[(4-bromobenzyl)amino]-N-(cyanomethyl)-4-methylpentanamide
CID 44403029
2-[(4-bromophenyl)methyl-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2503963
2-[(4-bromophenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
CID 2649393
N-allyl-3-bromo-4-methylbenzamide
CID 2982332
2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 4883221
N-[(2-bromophenyl)methyl]-2,2-dimethylbutanamide
CID 62679368
(2S)-N-[(2-bromophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 67460094
Dodecanamide, N-(o-bromobenzyl)-
CID 59221
2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2541418
2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4876507
N-(3-bromobenzyl)-2,2-dimethylbutanamide
CID 62679367

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylacetamide (CID 75513992) is 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylacetamide is CCNC(=O)CNCc1ccc(C)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylacetamide?
The InChIKey is PSDPWXGGUYXHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-15-12(16)8-14-7-10-5-4-9(2)6-11(10)13/h4-6,14H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylacetamide?
2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylacetamide has a molecular weight of 285.19 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-methylphenyl)methylamino]-N-ethylacetamide is sourced from PubChem (CID 75513992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).