N-(3-bromo-5-methylphenyl)-5-ethylfuran-2-carboxamide

C14H14BrNO2 — CID 104938590

IUPACN-(3-bromo-5-methylphenyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cc(C)cc(Br)c2)o1
InChIInChI=1S/C14H14BrNO2/c1-3-12-4-5-13(18-12)14(17)16-11-7-9(2)6-10(15)8-11/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyCNRHSMXXAGQFSZ-UHFFFAOYSA-N
MW308.18 g/mol
LogP4.17
Rot. Bonds3

About N-(3-bromo-5-methylphenyl)-5-ethylfuran-2-carboxamide

N-(3-bromo-5-methylphenyl)-5-ethylfuran-2-carboxamide (PubChem CID 104938590) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-5-ethylfuran-2-carboxamide
PubChem CID104938590
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC NameN-(3-bromo-5-methylphenyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cc(C)cc(Br)c2)o1
InChIInChI=1S/C14H14BrNO2/c1-3-12-4-5-13(18-12)14(17)16-11-7-9(2)6-10(15)8-11/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyCNRHSMXXAGQFSZ-UHFFFAOYSA-N
XLogP4.17
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-bromo-5-methylphenyl)-5-ethylfuran-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-ethyl-N-[4-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 64793917
5-bromo-2-[(5-ethylfuran-2-carbonyl)amino]benzoic acid
CID 62073783
5-ethyl-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 46422285
N-(2-amino-5-methylphenyl)-5-ethylfuran-2-carboxamide
CID 112557315
N-(3-bromo-5-methylphenyl)furan-2-carboxamide
CID 110604733
5-ethyl-N-(2-hydroxy-4-methylphenyl)furan-2-carboxamide
CID 112726930
5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 110697812
N-[4-(cyanomethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 112726762
N-(4-amino-3-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79094156
5-ethyl-N-[3-(sulfamoylmethyl)phenyl]furan-2-carboxamide
CID 60610670
5-ethyl-N-methylfuran-2-carboxamide
CID 60751451
5-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]furan-2-carboxamide
CID 106910472

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-5-ethylfuran-2-carboxamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-5-ethylfuran-2-carboxamide (CID 104938590) is N-(3-bromo-5-methylphenyl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)Nc2cc(C)cc(Br)c2)o1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-5-ethylfuran-2-carboxamide?
The InChIKey is CNRHSMXXAGQFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-3-12-4-5-13(18-12)14(17)16-11-7-9(2)6-10(15)8-11/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of N-(3-bromo-5-methylphenyl)-5-ethylfuran-2-carboxamide?
N-(3-bromo-5-methylphenyl)-5-ethylfuran-2-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 104938590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).