4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide

C22H21N3O4 — CID 51257940

IUPAC4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)c2cc(C(C)=O)cn2C)c1
InChIInChI=1S/C22H21N3O4/c1-14(26)15-11-20(25(2)13-15)22(28)24-19-10-5-4-9-18(19)21(27)23-16-7-6-8-17(12-16)29-3/h4-13H,1-3H3,(H,23,27)(H,24,28)
InChIKeyRBDVLGSWXMLTFJ-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.74
Rot. Bonds6

About 4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide

4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 51257940) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID51257940
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)c2cc(C(C)=O)cn2C)c1
InChIInChI=1S/C22H21N3O4/c1-14(26)15-11-20(25(2)13-15)22(28)24-19-10-5-4-9-18(19)21(27)23-16-7-6-8-17(12-16)29-3/h4-13H,1-3H3,(H,23,27)(H,24,28)
InChIKeyRBDVLGSWXMLTFJ-UHFFFAOYSA-N
XLogP3.74
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylindole-2-carboxamide
CID 60529287
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 43350862
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 55630453
N-(4-fluorophenyl)-2-[(3-methoxybenzoyl)amino]benzamide
CID 1228531
N-(3-methoxyphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 3548121
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
1-(2-methoxyethyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 55429869
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2521413
N-(3-methoxyphenyl)-2-[(4-propan-2-ylsulfonylbenzoyl)amino]benzamide
CID 55754649

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide (CID 51257940) is 4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide is COc1cccc(NC(=O)c2ccccc2NC(=O)c2cc(C(C)=O)cn2C)c1.
What is the InChIKey of 4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is RBDVLGSWXMLTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14(26)15-11-20(25(2)13-15)22(28)24-19-10-5-4-9-18(19)21(27)23-16-7-6-8-17(12-16)29-3/h4-13H,1-3H3,(H,23,27)(H,24,28).
What are the key properties of 4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide?
4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 51257940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).