5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide

C15H16BrNO3 — CID 110795131

IUPAC5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Br)o2)cc1C
InChIInChI=1S/C15H16BrNO3/c1-10-9-11(3-4-12(10)19-2)7-8-17-15(18)13-5-6-14(16)20-13/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyPLUPZFIFLYMWBB-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.33
Rot. Bonds5

About 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide

5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide (PubChem CID 110795131) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide
PubChem CID110795131
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Br)o2)cc1C
InChIInChI=1S/C15H16BrNO3/c1-10-9-11(3-4-12(10)19-2)7-8-17-15(18)13-5-6-14(16)20-13/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeyPLUPZFIFLYMWBB-UHFFFAOYSA-N
XLogP3.33
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide 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

5-bromo-N-[2-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 110795187
5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide
CID 110793657
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
CID 115175869
5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide
CID 32858696
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163503
5-bromo-N-[2-(3,4-difluorophenyl)ethyl]furan-2-carboxamide
CID 110795401
propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate
CID 23563495
2-(hydroxymethyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]butanamide
CID 115186688
5-bromo-N-[2-(2-methoxyphenoxy)ethyl]furan-2-carboxamide
CID 51157250
1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189923
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5-[(2,6-dimethylphenyl)sulfanylmethyl]furan-2-carboxamide
CID 21047070
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110795132

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide (CID 110795131) is 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide is COc1ccc(CCNC(=O)c2ccc(Br)o2)cc1C.
What is the InChIKey of 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide?
The InChIKey is PLUPZFIFLYMWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-10-9-11(3-4-12(10)19-2)7-8-17-15(18)13-5-6-14(16)20-13/h3-6,9H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide?
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 338.20 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 110795131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).