N-[3-(benzylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide

C20H18N2O3 — CID 1247372

IUPACN-[3-(benzylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H18N2O3/c1-14-18(10-11-25-14)20(24)22-17-9-5-8-16(12-17)19(23)21-13-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyRGXVJYMTCBEWOF-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.77
Rot. Bonds5

About N-[3-(benzylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide

N-[3-(benzylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide (PubChem CID 1247372) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[3-(benzylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(benzylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide
PubChem CID1247372
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-[3-(benzylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H18N2O3/c1-14-18(10-11-25-14)20(24)22-17-9-5-8-16(12-17)19(23)21-13-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyRGXVJYMTCBEWOF-UHFFFAOYSA-N
XLogP3.77
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(benzylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[3-(benzylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide (CID 1247372) is N-[3-(benzylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(benzylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[3-(benzylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-[3-(benzylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is RGXVJYMTCBEWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-14-18(10-11-25-14)20(24)22-17-9-5-8-16(12-17)19(23)21-13-15-6-3-2-4-7-15/h2-12H,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-(benzylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide?
N-[3-(benzylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzylcarbamoyl)phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 1247372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).