2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide

C14H18BrN3O3 — CID 78772998

IUPAC2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCC(=O)NC(C)C(=O)N(C)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H18BrN3O3/c1-9(16-10(2)19)14(21)18(3)8-13(20)17-12-7-5-4-6-11(12)15/h4-7,9H,8H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyJNNXOSJCSJDPFD-UHFFFAOYSA-N
MW356.22 g/mol
LogP1.37
Rot. Bonds5

About 2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide

2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 78772998) has the molecular formula C14H18BrN3O3 and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID78772998
Molecular FormulaC14H18BrN3O3
Molecular Weight356.22 g/mol
Exact Mass355.05
IUPAC Name2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCC(=O)NC(C)C(=O)N(C)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C14H18BrN3O3/c1-9(16-10(2)19)14(21)18(3)8-13(20)17-12-7-5-4-6-11(12)15/h4-7,9H,8H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyJNNXOSJCSJDPFD-UHFFFAOYSA-N
XLogP1.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 47097234
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-propan-2-ylsulfonylpropanamide
CID 55967009
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide
CID 56538781
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
(2R)-N-(4-acetamidophenyl)-2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]propanamide
CID 2555298
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide
CID 27800739
2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120783894
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
3-[[2-(2-bromoanilino)-2-oxoethyl]-ethylamino]butanoic acid
CID 62827479
2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783893
2-acetamido-N,3-dimethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 18112777

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide (CID 78772998) is 2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide is CC(=O)NC(C)C(=O)N(C)CC(=O)Nc1ccccc1Br.
What is the InChIKey of 2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is JNNXOSJCSJDPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O3/c1-9(16-10(2)19)14(21)18(3)8-13(20)17-12-7-5-4-6-11(12)15/h4-7,9H,8H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of 2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide?
2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 356.22 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 78772998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).