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

C21H19BrN2O3 — CID 31215370

IUPACN-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2Br)cc1NC(=O)c1ccco1
InChIInChI=1S/C21H19BrN2O3/c1-14-9-10-15(12-18(14)23-20(25)19-8-5-11-27-19)21(26)24(2)13-16-6-3-4-7-17(16)22/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyCFQUSPVEJHBURF-UHFFFAOYSA-N
MW427.30 g/mol
LogP4.88
Rot. Bonds5

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

N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 31215370) has the molecular formula C21H19BrN2O3 and a molecular weight of 427.30 g/mol. Its IUPAC name is N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID31215370
Molecular FormulaC21H19BrN2O3
Molecular Weight427.30 g/mol
Exact Mass426.06
IUPAC NameN-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N(C)Cc2ccccc2Br)cc1NC(=O)c1ccco1
InChIInChI=1S/C21H19BrN2O3/c1-14-9-10-15(12-18(14)23-20(25)19-8-5-11-27-19)21(26)24(2)13-16-6-3-4-7-17(16)22/h3-12H,13H2,1-2H3,(H,23,25)
InChIKeyCFQUSPVEJHBURF-UHFFFAOYSA-N
XLogP4.88
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(3-chlorophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 27795274
N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 38044186
N-[5-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41276141
N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9379021
N-[5-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 9437515
3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide
CID 81472236
N-[5-[methoxy(methyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51148992
N-[5-[(3-amino-4-methylpentyl)-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide;hydrochloride
CID 119657284
N-[5-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 112794246
N-[5-[[2-(ethoxymethyl)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 37398643
3-benzamido-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzamide
CID 55630306
N-[2-methyl-5-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 78792765

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide (CID 31215370) is N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)N(C)Cc2ccccc2Br)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is CFQUSPVEJHBURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O3/c1-14-9-10-15(12-18(14)23-20(25)19-8-5-11-27-19)21(26)24(2)13-16-6-3-4-7-17(16)22/h3-12H,13H2,1-2H3,(H,23,25).
What are the key properties of N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 427.30 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 31215370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).