2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide

C19H17ClN2O3 — CID 39336179

IUPAC2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(-n3cccc3)ccc2Cl)c1
InChIInChI=1S/C19H17ClN2O3/c1-24-14-6-8-18(25-2)17(12-14)21-19(23)15-11-13(5-7-16(15)20)22-9-3-4-10-22/h3-12H,1-2H3,(H,21,23)
InChIKeyJIBOCCKFMSYBFT-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.40
Rot. Bonds5

About 2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide

2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide (PubChem CID 39336179) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide
PubChem CID39336179
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide
SMILESCOc1ccc(OC)c(NC(=O)c2cc(-n3cccc3)ccc2Cl)c1
InChIInChI=1S/C19H17ClN2O3/c1-24-14-6-8-18(25-2)17(12-14)21-19(23)15-11-13(5-7-16(15)20)22-9-3-4-10-22/h3-12H,1-2H3,(H,21,23)
InChIKeyJIBOCCKFMSYBFT-UHFFFAOYSA-N
XLogP4.40
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2,5-dimethoxyphenyl)-2-fluorobenzamide
CID 91722818
4-bromo-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 55883648
N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide
CID 24536376
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-(2,5-dimethoxyphenyl)benzamide
CID 4801481
5-bromo-N-(2,5-dimethoxyphenyl)naphthalene-1-carboxamide
CID 1369979
3-[(2,5-dichlorobenzoyl)amino]-N-(2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 16818010
1-[(4-chlorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7598073
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
N-(2,5-dimethoxyphenyl)-6-methylpyridine-2-carboxamide
CID 31808969
2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
CID 1348361
N-(2,5-dimethoxyphenyl)-2-methylsulfanylbenzamide
CID 966884
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide?
The IUPAC name of 2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide (CID 39336179) is 2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide.
What is the SMILES notation for 2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide?
The canonical SMILES for 2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide is COc1ccc(OC)c(NC(=O)c2cc(-n3cccc3)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide?
The InChIKey is JIBOCCKFMSYBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-24-14-6-8-18(25-2)17(12-14)21-19(23)15-11-13(5-7-16(15)20)22-9-3-4-10-22/h3-12H,1-2H3,(H,21,23).
What are the key properties of 2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide?
2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide has a molecular weight of 356.81 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,5-dimethoxyphenyl)-5-pyrrol-1-ylbenzamide is sourced from PubChem (CID 39336179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).