2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

C20H17BrN2O3 — CID 100698722

IUPAC2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(Cc1cccc(Br)c1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C20H17BrN2O3/c21-15-6-3-5-14(11-15)12-19(24)23-18-9-2-1-8-17(18)20(25)22-13-16-7-4-10-26-16/h1-11H,12-13H2,(H,22,25)(H,23,24)
InChIKeyRAENPJOFXNIXBU-UHFFFAOYSA-N
MW413.27 g/mol
LogP4.15
Rot. Bonds6

About 2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 100698722) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is 2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID100698722
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC Name2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(Cc1cccc(Br)c1)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C20H17BrN2O3/c21-15-6-3-5-14(11-15)12-19(24)23-18-9-2-1-8-17(18)20(25)22-13-16-7-4-10-26-16/h1-11H,12-13H2,(H,22,25)(H,23,24)
InChIKeyRAENPJOFXNIXBU-UHFFFAOYSA-N
XLogP4.15
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide 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-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17051643
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 9198960
N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4938454
N-(furan-2-ylmethyl)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 35859606
N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94878119
N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
CID 9103530
2,5-dibromo-N-(furan-2-ylmethyl)benzamide
CID 114369742
2-[4-(4-chlorophenyl)butanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 55772978

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 100698722) is 2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is O=C(Cc1cccc(Br)c1)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is RAENPJOFXNIXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c21-15-6-3-5-14(11-15)12-19(24)23-18-9-2-1-8-17(18)20(25)22-13-16-7-4-10-26-16/h1-11H,12-13H2,(H,22,25)(H,23,24).
What are the key properties of 2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 413.27 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromophenyl)acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 100698722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).