2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide

C15H15BrN2O3 — CID 106853464

IUPAC2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccoc2Br)cc1
InChIInChI=1S/C15H15BrN2O3/c1-17-14(19)11-5-3-10(4-6-11)9-18(2)15(20)12-7-8-21-13(12)16/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyVQGKGHWEBDLKNB-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.67
Rot. Bonds4

About 2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide

2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide (PubChem CID 106853464) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
PubChem CID106853464
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccoc2Br)cc1
InChIInChI=1S/C15H15BrN2O3/c1-17-14(19)11-5-3-10(4-6-11)9-18(2)15(20)12-7-8-21-13(12)16/h3-8H,9H2,1-2H3,(H,17,19)
InChIKeyVQGKGHWEBDLKNB-UHFFFAOYSA-N
XLogP2.67
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide
CID 106852639
2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
CID 106852279
2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106853584
4-[[2-bromopropanoyl(methyl)amino]methyl]-N-methylbenzamide
CID 114014417
4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide
CID 51094891
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487
2-bromo-N-(cyanomethyl)-N-methylfuran-3-carboxamide
CID 106852111
2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide
CID 106441118
N-methyl-4-[[methyl-[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]benzamide
CID 8964688
2-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylfuran-3-carboxamide
CID 106853533
6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 41433756
5-(dimethylsulfamoyl)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 8966841

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide (CID 106853464) is 2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide is CNC(=O)c1ccc(CN(C)C(=O)c2ccoc2Br)cc1.
What is the InChIKey of 2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide?
The InChIKey is VQGKGHWEBDLKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-17-14(19)11-5-3-10(4-6-11)9-18(2)15(20)12-7-8-21-13(12)16/h3-8H,9H2,1-2H3,(H,17,19).
What are the key properties of 2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide?
2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide has a molecular weight of 351.20 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 106853464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).