5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide

C16H17BrN2O3 — CID 46488304

IUPAC5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C16H17BrN2O3/c1-10(2)18-15(20)9-11-3-5-12(6-4-11)19-16(21)13-7-8-14(17)22-13/h3-8,10H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWEDPBYARBXHTQW-UHFFFAOYSA-N
MW365.23 g/mol
LogP3.36
Rot. Bonds5

About 5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide (PubChem CID 46488304) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
PubChem CID46488304
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide
SMILESCC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C16H17BrN2O3/c1-10(2)18-15(20)9-11-3-5-12(6-4-11)19-16(21)13-7-8-14(17)22-13/h3-8,10H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyWEDPBYARBXHTQW-UHFFFAOYSA-N
XLogP3.36
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]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-[4-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]phenyl]furan-2-carboxamide
CID 55991446
5-bromo-N-[4-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46491324
5-bromo-N-[4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46488303
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
5-bromo-N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 60513275
5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213
5-bromo-N-[4-[2-[[4-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55791104
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide
CID 17105146
5-bromo-N-[4-[2-[2-(4-ethoxybenzoyl)hydrazinyl]-2-oxoethyl]phenyl]furan-2-carboxamide
CID 46489816

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide (CID 46488304) is 5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide is CC(C)NC(=O)Cc1ccc(NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide?
The InChIKey is WEDPBYARBXHTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-10(2)18-15(20)9-11-3-5-12(6-4-11)19-16(21)13-7-8-14(17)22-13/h3-8,10H,9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 46488304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).