N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide

C13H17BrN2O2 — CID 47097234

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H17BrN2O2/c1-9(2)13(18)16(3)8-12(17)15-11-7-5-4-6-10(11)14/h4-7,9H,8H2,1-3H3,(H,15,17)
InChIKeyKVBMQEFRKVADCH-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.50
Rot. Bonds4

About N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide

N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide (PubChem CID 47097234) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
PubChem CID47097234
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)CC(=O)Nc1ccccc1Br
InChIInChI=1S/C13H17BrN2O2/c1-9(2)13(18)16(3)8-12(17)15-11-7-5-4-6-10(11)14/h4-7,9H,8H2,1-3H3,(H,15,17)
InChIKeyKVBMQEFRKVADCH-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-propan-2-ylsulfonylpropanamide
CID 55967009
2-acetamido-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpropanamide
CID 78772998
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(diethylamino)-N-methyl-2-phenylacetamide
CID 56538781
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 40713724
N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylpentanamide
CID 27800739
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120783894
2-amino-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783893
5-bromo-N-[2-(2-bromoanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 51554035
N-(2-bromophenyl)-2-[methyl-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]amino]acetamide
CID 97352788
N-[2-(2-bromoanilino)-2-oxoethyl]-2,2-dichloro-N,1-dimethylcyclopropane-1-carboxamide
CID 46563598

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide (CID 47097234) is N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)CC(=O)Nc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide?
The InChIKey is KVBMQEFRKVADCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-9(2)13(18)16(3)8-12(17)15-11-7-5-4-6-10(11)14/h4-7,9H,8H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide has a molecular weight of 313.19 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 47097234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).