3-acetamido-N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethylpropanamide

C15H20BrN3O3 — CID 8903041

IUPAC3-acetamido-N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethylpropanamide
SMILESCCN(CC(=O)Nc1ccc(Br)cc1)C(=O)CCNC(C)=O
InChIInChI=1S/C15H20BrN3O3/c1-3-19(15(22)8-9-17-11(2)20)10-14(21)18-13-6-4-12(16)5-7-13/h4-7H,3,8-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyZOUXDILOFLQRIW-UHFFFAOYSA-N
MW370.25 g/mol
LogP1.76
Rot. Bonds7

About 3-acetamido-N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethylpropanamide

3-acetamido-N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethylpropanamide (PubChem CID 8903041) has the molecular formula C15H20BrN3O3 and a molecular weight of 370.25 g/mol. Its IUPAC name is 3-acetamido-N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethylpropanamide
PubChem CID8903041
Molecular FormulaC15H20BrN3O3
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Name3-acetamido-N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethylpropanamide
SMILESCCN(CC(=O)Nc1ccc(Br)cc1)C(=O)CCNC(C)=O
InChIInChI=1S/C15H20BrN3O3/c1-3-19(15(22)8-9-17-11(2)20)10-14(21)18-13-6-4-12(16)5-7-13/h4-7H,3,8-10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyZOUXDILOFLQRIW-UHFFFAOYSA-N
XLogP1.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethylpropanamide?
The IUPAC name of 3-acetamido-N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethylpropanamide (CID 8903041) is 3-acetamido-N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethylpropanamide.
What is the SMILES notation for 3-acetamido-N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethylpropanamide?
The canonical SMILES for 3-acetamido-N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethylpropanamide is CCN(CC(=O)Nc1ccc(Br)cc1)C(=O)CCNC(C)=O.
What is the InChIKey of 3-acetamido-N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethylpropanamide?
The InChIKey is ZOUXDILOFLQRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O3/c1-3-19(15(22)8-9-17-11(2)20)10-14(21)18-13-6-4-12(16)5-7-13/h4-7H,3,8-10H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 3-acetamido-N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethylpropanamide?
3-acetamido-N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethylpropanamide has a molecular weight of 370.25 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethylpropanamide is sourced from PubChem (CID 8903041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).