N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide

C16H17BrN2O3 — CID 113053874

IUPACN-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(Br)c1)Cc1ccco1
InChIInChI=1S/C16H17BrN2O3/c1-12(20)19(11-15-6-3-9-22-15)8-7-18-16(21)13-4-2-5-14(17)10-13/h2-6,9-10H,7-8,11H2,1H3,(H,18,21)
InChIKeyZOOZVQWRZDDFTN-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.82
Rot. Bonds6

About N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide

N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide (PubChem CID 113053874) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide
PubChem CID113053874
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC NameN-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(Br)c1)Cc1ccco1
InChIInChI=1S/C16H17BrN2O3/c1-12(20)19(11-15-6-3-9-22-15)8-7-18-16(21)13-4-2-5-14(17)10-13/h2-6,9-10H,7-8,11H2,1H3,(H,18,21)
InChIKeyZOOZVQWRZDDFTN-UHFFFAOYSA-N
XLogP2.82
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide 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

N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113053913
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(4-methylphenyl)acetamide
CID 113053917
3-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzamide
CID 60654625
3-bromo-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 2941785
3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
CID 90605052
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-bromobenzamide
CID 113064613
3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 47267566
3-bromo-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084699
3-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-(furan-2-ylmethyl)benzamide
CID 42703548
N-ethyl-N-(furan-2-ylmethyl)-3-sulfanylbenzamide
CID 107024394
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 113053908
3-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]benzoic acid
CID 61420973

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide?
The IUPAC name of N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide (CID 113053874) is N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide.
What is the SMILES notation for N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide?
The canonical SMILES for N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide is CC(=O)N(CCNC(=O)c1cccc(Br)c1)Cc1ccco1.
What is the InChIKey of N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide?
The InChIKey is ZOOZVQWRZDDFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-12(20)19(11-15-6-3-9-22-15)8-7-18-16(21)13-4-2-5-14(17)10-13/h2-6,9-10H,7-8,11H2,1H3,(H,18,21).
What are the key properties of N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide?
N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide has a molecular weight of 365.23 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(furan-2-ylmethyl)amino]ethyl]-3-bromobenzamide is sourced from PubChem (CID 113053874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).