5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide

C14H14BrNO2 — CID 60631156

IUPAC5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C14H14BrNO2/c1-10-5-3-4-6-11(10)9-16(2)14(17)12-7-8-13(15)18-12/h3-8H,9H2,1-2H3
InChIKeyGPNFPVVVPWRZJE-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.62
Rot. Bonds3

About 5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide

5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide (PubChem CID 60631156) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
PubChem CID60631156
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC Name5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc(Br)o1
InChIInChI=1S/C14H14BrNO2/c1-10-5-3-4-6-11(10)9-16(2)14(17)12-7-8-13(15)18-12/h3-8H,9H2,1-2H3
InChIKeyGPNFPVVVPWRZJE-UHFFFAOYSA-N
XLogP3.62
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-methyl-N-[(2-methylphenyl)methyl]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

7-bromo-N-methyl-N-[(2-methylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 39717319
5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 27839121
5-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 60725330
5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 60794455
N-[(2-bromophenyl)methyl]-5-ethyl-N-methylfuran-2-carboxamide
CID 112726756
N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-N-methylfuran-2-carboxamide
CID 18117583
4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
3-[(5-bromofuran-2-carbonyl)-methylamino]propanoic acid
CID 60989511
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
N-[(2-bromophenyl)methyl]-N-methyl-5-nitrofuran-2-carboxamide
CID 34867078
N,N-dibenzyl-5-bromofuran-2-carboxamide
CID 1042531
N,2,4-trimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028537

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide (CID 60631156) is 5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide is Cc1ccccc1CN(C)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide?
The InChIKey is GPNFPVVVPWRZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-10-5-3-4-6-11(10)9-16(2)14(17)12-7-8-13(15)18-12/h3-8H,9H2,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide?
5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 60631156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).