N-[(2-methoxyphenyl)methyl]-N-[(2-phenylphenyl)methyl]-2-pyrrol-1-ylbenzamide

C32H28N2O2 — CID 10310864

IUPACN-[(2-methoxyphenyl)methyl]-N-[(2-phenylphenyl)methyl]-2-pyrrol-1-ylbenzamide
SMILESCOc1ccccc1CN(Cc1ccccc1-c1ccccc1)C(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C32H28N2O2/c1-36-31-20-10-6-16-27(31)24-34(23-26-15-5-7-17-28(26)25-13-3-2-4-14-25)32(35)29-18-8-9-19-30(29)33-21-11-12-22-33/h2-22H,23-24H2,1H3
InChIKeyJLSYLKHHTYUUHZ-UHFFFAOYSA-N
MW472.59 g/mol
LogP7.00
Rot. Bonds8

About N-[(2-methoxyphenyl)methyl]-N-[(2-phenylphenyl)methyl]-2-pyrrol-1-ylbenzamide

N-[(2-methoxyphenyl)methyl]-N-[(2-phenylphenyl)methyl]-2-pyrrol-1-ylbenzamide (PubChem CID 10310864) has the molecular formula C32H28N2O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-[(2-phenylphenyl)methyl]-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-[(2-phenylphenyl)methyl]-2-pyrrol-1-ylbenzamide
PubChem CID10310864
Molecular FormulaC32H28N2O2
Molecular Weight472.59 g/mol
Exact Mass472.22
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-[(2-phenylphenyl)methyl]-2-pyrrol-1-ylbenzamide
SMILESCOc1ccccc1CN(Cc1ccccc1-c1ccccc1)C(=O)c1ccccc1-n1cccc1
InChIInChI=1S/C32H28N2O2/c1-36-31-20-10-6-16-27(31)24-34(23-26-15-5-7-17-28(26)25-13-3-2-4-14-25)32(35)29-18-8-9-19-30(29)33-21-11-12-22-33/h2-22H,23-24H2,1H3
InChIKeyJLSYLKHHTYUUHZ-UHFFFAOYSA-N
XLogP7.00
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 20760414
N-[(2-chloro-4-fluorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 22566961
N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-phenylbenzamide
CID 69326258
N-[(2-chloro-4-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 22567018
2-ethoxy-N-(4-methoxyphenyl)-N-[(2-phenylphenyl)methyl]benzamide
CID 23497812
2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 112795014
2-[(2-methoxyphenyl)methoxy]-3-phenylbenzamide
CID 155145171
2-[2-[2-hydroxyethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569624
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
ethyl N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]carbamate
CID 64593009
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-(triazol-1-yl)benzamide
CID 86788144
N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 167927105

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(2-phenylphenyl)methyl]-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[(2-phenylphenyl)methyl]-2-pyrrol-1-ylbenzamide (CID 10310864) is N-[(2-methoxyphenyl)methyl]-N-[(2-phenylphenyl)methyl]-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-[(2-phenylphenyl)methyl]-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-[(2-phenylphenyl)methyl]-2-pyrrol-1-ylbenzamide is COc1ccccc1CN(Cc1ccccc1-c1ccccc1)C(=O)c1ccccc1-n1cccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-[(2-phenylphenyl)methyl]-2-pyrrol-1-ylbenzamide?
The InChIKey is JLSYLKHHTYUUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2O2/c1-36-31-20-10-6-16-27(31)24-34(23-26-15-5-7-17-28(26)25-13-3-2-4-14-25)32(35)29-18-8-9-19-30(29)33-21-11-12-22-33/h2-22H,23-24H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-[(2-phenylphenyl)methyl]-2-pyrrol-1-ylbenzamide?
N-[(2-methoxyphenyl)methyl]-N-[(2-phenylphenyl)methyl]-2-pyrrol-1-ylbenzamide has a molecular weight of 472.59 g/mol, XLogP of 7.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-[(2-phenylphenyl)methyl]-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 10310864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).