N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide

C13H17BrN2O2 — CID 36899593

IUPACN-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O2/c1-13(2,3)12(18)15-8-11(17)16-10-6-4-9(14)5-7-10/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyHFGPKDAKWIEEND-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.55
Rot. Bonds3

About N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 36899593) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID36899593
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O2/c1-13(2,3)12(18)15-8-11(17)16-10-6-4-9(14)5-7-10/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyHFGPKDAKWIEEND-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36860148
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812
N-[2-(4-methoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 771979
2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 119253886
2,2-dimethyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 112999062
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide
CID 124626154
4-bromo-2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]benzoic acid
CID 60916642
2-(4-bromophenyl)-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 112996188
N-(4-bromophenyl)-2-(2,2-dimethylhydrazinyl)acetamide
CID 83014365
2-(4-bromophenyl)-N-[2-(4-ethylanilino)-2-oxoethyl]acetamide
CID 112996813
5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 43170102
N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 17404195

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide (CID 36899593) is N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is HFGPKDAKWIEEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-13(2,3)12(18)15-8-11(17)16-10-6-4-9(14)5-7-10/h4-7H,8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 313.19 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 36899593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).