4,5-dichloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide

C20H17Cl2N3O3 — CID 55667321

IUPAC4,5-dichloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(Cl)c(Cl)n2C)cc1
InChIInChI=1S/C20H17Cl2N3O3/c1-25-16(11-14(21)18(25)22)20(27)23-13-9-7-12(8-10-13)19(26)24-15-5-3-4-6-17(15)28-2/h3-11H,1-2H3,(H,23,27)(H,24,26)
InChIKeyRMAITLHMMVCFGH-UHFFFAOYSA-N
MW418.28 g/mol
LogP4.85
Rot. Bonds5

About 4,5-dichloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide

4,5-dichloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 55667321) has the molecular formula C20H17Cl2N3O3 and a molecular weight of 418.28 g/mol. Its IUPAC name is 4,5-dichloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID55667321
Molecular FormulaC20H17Cl2N3O3
Molecular Weight418.28 g/mol
Exact Mass417.06
IUPAC Name4,5-dichloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(Cl)c(Cl)n2C)cc1
InChIInChI=1S/C20H17Cl2N3O3/c1-25-16(11-14(21)18(25)22)20(27)23-13-9-7-12(8-10-13)19(26)24-15-5-3-4-6-17(15)28-2/h3-11H,1-2H3,(H,23,27)(H,24,26)
InChIKeyRMAITLHMMVCFGH-UHFFFAOYSA-N
XLogP4.85
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.28
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,5-dichloro-N-[4-[(2-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

4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
2-chloro-6-fluoro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522627
4-[[2-(3,4-dichlorophenyl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522654
2-ethoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522658
4-(2-chloroethylcarbamoylamino)-N-(2-methoxyphenyl)benzamide
CID 2344102
3,4,5,6-tetrachloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 26522722
4-[[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 40941991
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethylbenzamide
CID 9245041
4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 61497972
N-(2-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403508
5-N-(2-methoxyphenyl)-3-N-phenylpyridine-3,5-dicarboxamide
CID 109107789

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide (CID 55667321) is 4,5-dichloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide is COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(Cl)c(Cl)n2C)cc1.
What is the InChIKey of 4,5-dichloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is RMAITLHMMVCFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O3/c1-25-16(11-14(21)18(25)22)20(27)23-13-9-7-12(8-10-13)19(26)24-15-5-3-4-6-17(15)28-2/h3-11H,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 4,5-dichloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide?
4,5-dichloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 418.28 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 55667321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).