N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide

C19H16N2O3 — CID 17015561

IUPACN-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H16N2O3/c1-12-16(11-17(24-12)13-5-3-2-4-6-13)19(23)21-15-9-7-14(8-10-15)18(20)22/h2-11H,1H3,(H2,20,22)(H,21,23)
InChIKeyHPWYAKGKOOHDGX-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.61
Rot. Bonds4

About N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide

N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide (PubChem CID 17015561) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
PubChem CID17015561
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H16N2O3/c1-12-16(11-17(24-12)13-5-3-2-4-6-13)19(23)21-15-9-7-14(8-10-15)18(20)22/h2-11H,1H3,(H2,20,22)(H,21,23)
InChIKeyHPWYAKGKOOHDGX-UHFFFAOYSA-N
XLogP3.61
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide (CID 17015561) is N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide is Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide?
The InChIKey is HPWYAKGKOOHDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-12-16(11-17(24-12)13-5-3-2-4-6-13)19(23)21-15-9-7-14(8-10-15)18(20)22/h2-11H,1H3,(H2,20,22)(H,21,23).
What are the key properties of N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide?
N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-2-methyl-5-phenylfuran-3-carboxamide is sourced from PubChem (CID 17015561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).