N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide

C21H20N2O3 — CID 9379021

IUPACN-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H20N2O3/c1-15-6-3-4-7-17(15)14-23(2)21(25)16-9-11-18(12-10-16)22-20(24)19-8-5-13-26-19/h3-13H,14H2,1-2H3,(H,22,24)
InChIKeyXRPFZRURFJMZSD-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.11
Rot. Bonds5

About N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide

N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 9379021) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID9379021
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H20N2O3/c1-15-6-3-4-7-17(15)14-23(2)21(25)16-9-11-18(12-10-16)22-20(24)19-8-5-13-26-19/h3-13H,14H2,1-2H3,(H,22,24)
InChIKeyXRPFZRURFJMZSD-UHFFFAOYSA-N
XLogP4.11
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 9184242
N-[4-[(4-chlorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 17403165
N-[5-[methyl-[(2-methylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51331595
N-[5-[(2-bromophenyl)methyl-methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 31215370
4-(ethylamino)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 62175917
N-[4-[benzyl(ethyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17399777
N-[4-[(2-chloro-6-fluorophenyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 18112182
N-[4-[(2-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 872367
N-[4-[(2-hydroxycyclopentyl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 109400174
4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
N-[4-[2-(N-ethyl-2-methylanilino)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 46478628
N-[4-[ethyl(phenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 2979994

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide (CID 9379021) is N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide is Cc1ccccc1CN(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is XRPFZRURFJMZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15-6-3-4-7-17(15)14-23(2)21(25)16-9-11-18(12-10-16)22-20(24)19-8-5-13-26-19/h3-13H,14H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 9379021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).