N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-3-(furan-3-yl)benzamide

C29H26N2O3 — CID 44578806

IUPACN-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-3-(furan-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C29H26N2O3/c1-19-5-12-26(31-29(33)24-4-2-3-23(15-24)25-13-14-34-18-25)16-27(19)21-8-10-22(11-9-21)28(32)30-17-20-6-7-20/h2-5,8-16,18,20H,6-7,17H2,1H3,(H,30,32)(H,31,33)
InChIKeyYIMORLFQIDTJNM-UHFFFAOYSA-N
MW450.54 g/mol
LogP6.31
Rot. Bonds7

About N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-3-(furan-3-yl)benzamide

N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-3-(furan-3-yl)benzamide (PubChem CID 44578806) has the molecular formula C29H26N2O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-3-(furan-3-yl)benzamide.

Molecular Properties

Compound NameN-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-3-(furan-3-yl)benzamide
PubChem CID44578806
Molecular FormulaC29H26N2O3
Molecular Weight450.54 g/mol
Exact Mass450.19
IUPAC NameN-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-3-(furan-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C29H26N2O3/c1-19-5-12-26(31-29(33)24-4-2-3-23(15-24)25-13-14-34-18-25)16-27(19)21-8-10-22(11-9-21)28(32)30-17-20-6-7-20/h2-5,8-16,18,20H,6-7,17H2,1H3,(H,30,32)(H,31,33)
InChIKeyYIMORLFQIDTJNM-UHFFFAOYSA-N
XLogP6.31
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-3-(furan-3-yl)benzamide?
The IUPAC name of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-3-(furan-3-yl)benzamide (CID 44578806) is N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-3-(furan-3-yl)benzamide.
What is the SMILES notation for N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-3-(furan-3-yl)benzamide?
The canonical SMILES for N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-3-(furan-3-yl)benzamide is Cc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-3-(furan-3-yl)benzamide?
The InChIKey is YIMORLFQIDTJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3/c1-19-5-12-26(31-29(33)24-4-2-3-23(15-24)25-13-14-34-18-25)16-27(19)21-8-10-22(11-9-21)28(32)30-17-20-6-7-20/h2-5,8-16,18,20H,6-7,17H2,1H3,(H,30,32)(H,31,33).
What are the key properties of N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-3-(furan-3-yl)benzamide?
N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-3-(furan-3-yl)benzamide has a molecular weight of 450.54 g/mol, XLogP of 6.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-3-(furan-3-yl)benzamide is sourced from PubChem (CID 44578806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).