2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide

C15H23BrN2O2 — CID 82867453

IUPAC2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C15H23BrN2O2/c1-4-5-6-7-17-15(19)11(2)18-13-8-12(16)9-14(10-13)20-3/h8-11,18H,4-7H2,1-3H3,(H,17,19)
InChIKeyACVPHOKCVPONEZ-UHFFFAOYSA-N
MW343.27 g/mol
LogP3.56
Rot. Bonds8

About 2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide

2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide (PubChem CID 82867453) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide.

Molecular Properties

Compound Name2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide
PubChem CID82867453
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)Nc1cc(Br)cc(OC)c1
InChIInChI=1S/C15H23BrN2O2/c1-4-5-6-7-17-15(19)11(2)18-13-8-12(16)9-14(10-13)20-3/h8-11,18H,4-7H2,1-3H3,(H,17,19)
InChIKeyACVPHOKCVPONEZ-UHFFFAOYSA-N
XLogP3.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide 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-(3-bromo-5-methoxyanilino)-N-(ethylcarbamoyl)propanamide
CID 82867225
2-(3-bromo-4-methoxyanilino)-N-pentylpropanamide
CID 63996831
3-bromo-5-methoxy-N-nonan-2-ylaniline
CID 82857292
3-bromo-5-methoxy-N-octan-2-ylaniline
CID 82857926
methyl 2-(3-bromo-5-methoxyanilino)hexanoate
CID 103262055
2-[(6-methoxy-3-pyridinyl)amino]-N-pentylpropanamide
CID 43114026
2-[4-(2-methoxyphenoxy)anilino]-N-pentylpropanamide
CID 134039373
2-(3-chloro-4-methoxyanilino)-N-pentylpropanamide
CID 43113186
2-(3-fluoro-4-methoxyanilino)-N-pentylpropanamide
CID 43380763
3-(3-bromo-5-methoxyanilino)butanoic acid
CID 82868127
ethyl 2-(3-bromo-5-methoxyanilino)pentanoate
CID 83041235
2-(naphthalen-2-ylamino)-N-pentylpropanamide
CID 43420250

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide?
The IUPAC name of 2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide (CID 82867453) is 2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide.
What is the SMILES notation for 2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide?
The canonical SMILES for 2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide is CCCCCNC(=O)C(C)Nc1cc(Br)cc(OC)c1.
What is the InChIKey of 2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide?
The InChIKey is ACVPHOKCVPONEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-4-5-6-7-17-15(19)11(2)18-13-8-12(16)9-14(10-13)20-3/h8-11,18H,4-7H2,1-3H3,(H,17,19).
What are the key properties of 2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide?
2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide has a molecular weight of 343.27 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methoxyanilino)-N-pentylpropanamide is sourced from PubChem (CID 82867453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).