2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide

C13H11Br2NO2 — CID 106852279

IUPAC2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1ccoc1Br
InChIInChI=1S/C13H11Br2NO2/c1-16(8-9-3-2-4-10(14)7-9)13(17)11-5-6-18-12(11)15/h2-7H,8H2,1H3
InChIKeyKMNPWKDXHFJXPL-UHFFFAOYSA-N
MW373.04 g/mol
LogP4.08
Rot. Bonds3

About 2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide

2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide (PubChem CID 106852279) has the molecular formula C13H11Br2NO2 and a molecular weight of 373.04 g/mol. Its IUPAC name is 2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
PubChem CID106852279
Molecular FormulaC13H11Br2NO2
Molecular Weight373.04 g/mol
Exact Mass370.92
IUPAC Name2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
SMILESCN(Cc1cccc(Br)c1)C(=O)c1ccoc1Br
InChIInChI=1S/C13H11Br2NO2/c1-16(8-9-3-2-4-10(14)7-9)13(17)11-5-6-18-12(11)15/h2-7H,8H2,1H3
InChIKeyKMNPWKDXHFJXPL-UHFFFAOYSA-N
XLogP4.08
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.04
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106853584
2-bromo-N-[(3-bromophenyl)methyl]-N,3-dimethylbenzamide
CID 107982324
2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide
CID 106852639
N-[(3-bromophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 61378055
2-bromo-N-[(3-bromophenyl)methyl]-5-fluoro-N-methylbenzamide
CID 60736552
2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
CID 106853464
2-amino-N-[(3-bromophenyl)methyl]-3-chloro-N-methylbenzamide
CID 115540438
5-amino-N-[(3-bromophenyl)methyl]-2-chloro-N-methylbenzamide
CID 61139486
2-amino-N-[(3-bromophenyl)methyl]-3-fluoro-N-methylbenzamide
CID 62660187
N-[(3-bromophenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79770462
N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 61042579
3-amino-N-[(3-bromophenyl)methyl]-N-methylbenzamide
CID 54916014

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide?
The IUPAC name of 2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide (CID 106852279) is 2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide?
The canonical SMILES for 2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide is CN(Cc1cccc(Br)c1)C(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide?
The InChIKey is KMNPWKDXHFJXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO2/c1-16(8-9-3-2-4-10(14)7-9)13(17)11-5-6-18-12(11)15/h2-7H,8H2,1H3.
What are the key properties of 2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide?
2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide has a molecular weight of 373.04 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide is sourced from PubChem (CID 106852279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).