N-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide

C15H16BrNO3 — CID 86925221

IUPACN-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC(C)c2cccc(Br)c2)o1
InChIInChI=1S/C15H16BrNO3/c1-10(11-4-3-5-12(16)8-11)17-15(18)14-7-6-13(20-14)9-19-2/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyHACSXBHYHALEKP-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.68
Rot. Bonds5

About N-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide

N-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 86925221) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID86925221
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC NameN-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC(C)c2cccc(Br)c2)o1
InChIInChI=1S/C15H16BrNO3/c1-10(11-4-3-5-12(16)8-11)17-15(18)14-7-6-13(20-14)9-19-2/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyHACSXBHYHALEKP-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)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

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824798
N-[1-(3,4-diethoxyphenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78824780
5-(methoxymethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]furan-2-carboxamide
CID 78867521
5-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]furan-2-carboxamide
CID 81373778
5-(methoxymethyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]furan-2-carboxamide
CID 78890847
N-[(2S,4R)-4-hydroxy-4-phenylbutan-2-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 97019509
4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 102851910
5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19465616
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 95607825
5-(methoxymethyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 78872272
4-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110
2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide (CID 86925221) is N-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)NC(C)c2cccc(Br)c2)o1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is HACSXBHYHALEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-10(11-4-3-5-12(16)8-11)17-15(18)14-7-6-13(20-14)9-19-2/h3-8,10H,9H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 338.20 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 86925221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).