2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide

C15H21BrN2O2 — CID 113172969

IUPAC2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(C(C)=O)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-4-5-10-17(3)15(20)11-18(12(2)19)14-8-6-13(16)7-9-14/h6-9H,4-5,10-11H2,1-3H3
InChIKeyAJLXBWMTDQMEAT-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.06
Rot. Bonds6

About 2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide

2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide (PubChem CID 113172969) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide
PubChem CID113172969
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(C(C)=O)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-4-5-10-17(3)15(20)11-18(12(2)19)14-8-6-13(16)7-9-14/h6-9H,4-5,10-11H2,1-3H3
InChIKeyAJLXBWMTDQMEAT-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide
CID 113168509
2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide
CID 113167534
2-(N-acetyl-2-methylanilino)-N-butyl-N-methylacetamide
CID 113167338
2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide
CID 113173373
2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide
CID 113172989
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-butyl-N-methylacetamide
CID 113179148
2-(N-acetyl-2,3-dimethylanilino)-N-butyl-N-methylacetamide
CID 113168897
2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide
CID 113170458
2-(N-acetyl-4-bromoanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172934
2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide
CID 113171731
N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide
CID 56827978
2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide
CID 113176880

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide?
The IUPAC name of 2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide (CID 113172969) is 2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide?
The canonical SMILES for 2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide is CCCCN(C)C(=O)CN(C(C)=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide?
The InChIKey is AJLXBWMTDQMEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-4-5-10-17(3)15(20)11-18(12(2)19)14-8-6-13(16)7-9-14/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of 2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide?
2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide has a molecular weight of 341.25 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide is sourced from PubChem (CID 113172969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).