5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide

C13H10BrCl2NO2 — CID 60794455

IUPAC5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C13H10BrCl2NO2/c1-17(13(18)11-2-3-12(14)19-11)7-8-4-9(15)6-10(16)5-8/h2-6H,7H2,1H3
InChIKeyLAVXDRCEALZZAK-UHFFFAOYSA-N
MW363.04 g/mol
LogP4.62
Rot. Bonds3

About 5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide

5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide (PubChem CID 60794455) has the molecular formula C13H10BrCl2NO2 and a molecular weight of 363.04 g/mol. Its IUPAC name is 5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
PubChem CID60794455
Molecular FormulaC13H10BrCl2NO2
Molecular Weight363.04 g/mol
Exact Mass360.93
IUPAC Name5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Br)o1
InChIInChI=1S/C13H10BrCl2NO2/c1-17(13(18)11-2-3-12(14)19-11)7-8-4-9(15)6-10(16)5-8/h2-6H,7H2,1H3
InChIKeyLAVXDRCEALZZAK-UHFFFAOYSA-N
XLogP4.62
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.04
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 60631156
5-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 60725330
5-bromo-N-[(3-carbamothioylphenyl)methyl]-N-methylfuran-2-carboxamide
CID 62967031
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
3-[(5-bromofuran-2-carbonyl)-methylamino]propanoic acid
CID 60989511
5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 9438199
5-bromo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
CID 64509906
5-bromo-N-(3-hydroxybutyl)-N-methylfuran-2-carboxamide
CID 111695876
5-bromo-N-(2-ethoxyethyl)-N-methylfuran-2-carboxamide
CID 81055957
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-N-methylfuran-2-carboxamide
CID 32754750
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 86977899
7-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 55684638

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide (CID 60794455) is 5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide?
The InChIKey is LAVXDRCEALZZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO2/c1-17(13(18)11-2-3-12(14)19-11)7-8-4-9(15)6-10(16)5-8/h2-6H,7H2,1H3.
What are the key properties of 5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide?
5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide has a molecular weight of 363.04 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3,5-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 60794455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).