N-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide

C20H18N2O3 — CID 3754901

IUPACN-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C(=O)c2c[nH]c(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C20H18N2O3/c1-25-17-9-7-15(8-10-17)19(23)16-11-18(21-13-16)20(24)22-12-14-5-3-2-4-6-14/h2-11,13,21H,12H2,1H3,(H,22,24)
InChIKeyRWEANFGVURIOME-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.18
Rot. Bonds6

About N-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide

N-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide (PubChem CID 3754901) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide
PubChem CID3754901
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC NameN-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C(=O)c2c[nH]c(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C20H18N2O3/c1-25-17-9-7-15(8-10-17)19(23)16-11-18(21-13-16)20(24)22-12-14-5-3-2-4-6-14/h2-11,13,21H,12H2,1H3,(H,22,24)
InChIKeyRWEANFGVURIOME-UHFFFAOYSA-N
XLogP3.18
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
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N-benzyl-4-(4-methoxyphenyl)-2-oxo-1H-pyrimidine-6-carboxamide
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N-[(4-cyanophenyl)methyl]-4-(2-methoxybenzoyl)-1H-pyrrole-2-carboxamide
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N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
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N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
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4-chloro-N-[(3-methoxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 18104585
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide (CID 3754901) is N-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide is COc1ccc(C(=O)c2c[nH]c(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide?
The InChIKey is RWEANFGVURIOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-25-17-9-7-15(8-10-17)19(23)16-11-18(21-13-16)20(24)22-12-14-5-3-2-4-6-14/h2-11,13,21H,12H2,1H3,(H,22,24).
What are the key properties of N-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide?
N-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3754901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).