N-[(2-bromophenyl)methyl]-N-methyl-3-phenylfuran-2-carboxamide

C19H16BrNO2 — CID 38044616

IUPACN-[(2-bromophenyl)methyl]-N-methyl-3-phenylfuran-2-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1occc1-c1ccccc1
InChIInChI=1S/C19H16BrNO2/c1-21(13-15-9-5-6-10-17(15)20)19(22)18-16(11-12-23-18)14-7-3-2-4-8-14/h2-12H,13H2,1H3
InChIKeyOUFHJKGOCQKNIB-UHFFFAOYSA-N
MW370.25 g/mol
LogP4.98
Rot. Bonds4

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

N-[(2-bromophenyl)methyl]-N-methyl-3-phenylfuran-2-carboxamide (PubChem CID 38044616) has the molecular formula C19H16BrNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-3-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-3-phenylfuran-2-carboxamide
PubChem CID38044616
Molecular FormulaC19H16BrNO2
Molecular Weight370.25 g/mol
Exact Mass369.04
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-3-phenylfuran-2-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1occc1-c1ccccc1
InChIInChI=1S/C19H16BrNO2/c1-21(13-15-9-5-6-10-17(15)20)19(22)18-16(11-12-23-18)14-7-3-2-4-8-14/h2-12H,13H2,1H3
InChIKeyOUFHJKGOCQKNIB-UHFFFAOYSA-N
XLogP4.98
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylfuran-2-carboxamide
CID 79381248
N,N-dimethyl-3-phenylfuran-2-carboxamide
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1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 78906851
2-bromo-N-[(2-bromophenyl)methyl]-6-fluoro-N-methylbenzamide
CID 114559308
(2S)-2-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]-3-hydroxypropanoic acid
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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-3-phenylfuran-2-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-3-phenylfuran-2-carboxamide (CID 38044616) is N-[(2-bromophenyl)methyl]-N-methyl-3-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-3-phenylfuran-2-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-3-phenylfuran-2-carboxamide is CN(Cc1ccccc1Br)C(=O)c1occc1-c1ccccc1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-3-phenylfuran-2-carboxamide?
The InChIKey is OUFHJKGOCQKNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO2/c1-21(13-15-9-5-6-10-17(15)20)19(22)18-16(11-12-23-18)14-7-3-2-4-8-14/h2-12H,13H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-3-phenylfuran-2-carboxamide?
N-[(2-bromophenyl)methyl]-N-methyl-3-phenylfuran-2-carboxamide has a molecular weight of 370.25 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-3-phenylfuran-2-carboxamide is sourced from PubChem (CID 38044616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).