N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide

C13H11Cl2N3O2 — CID 31301489

IUPACN-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)c1
InChIInChI=1S/C13H11Cl2N3O2/c1-7(19)16-8-3-2-4-9(5-8)17-13(20)11-6-10(14)12(15)18-11/h2-6,18H,1H3,(H,16,19)(H,17,20)
InChIKeyUFUQPOYTXHURSA-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.53
Rot. Bonds3

About N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide

N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide (PubChem CID 31301489) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
PubChem CID31301489
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC NameN-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)c1
InChIInChI=1S/C13H11Cl2N3O2/c1-7(19)16-8-3-2-4-9(5-8)17-13(20)11-6-10(14)12(15)18-11/h2-6,18H,1H3,(H,16,19)(H,17,20)
InChIKeyUFUQPOYTXHURSA-UHFFFAOYSA-N
XLogP3.53
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dichloro-N-(3-chloro-4-hydroxyphenyl)-1H-pyrrole-2-carboxamide
CID 64787518
N-(4-bromo-3-methylphenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 31302300
N-[3-(3-aminoprop-1-ynyl)phenyl]-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 60803750
2-chloro-4-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]benzoic acid
CID 61398560
N-(3-acetamidophenyl)-2-chlorobenzamide
CID 792012
N-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide
CID 110861279
4,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole-2-carboxamide
CID 37167618
4,5-dichloro-N-(2-iodophenyl)-1H-pyrrole-2-carboxamide
CID 31301419
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
N-(3-acetamidophenyl)-3-amino-4-chlorobenzamide
CID 28722825
N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide (CID 31301489) is N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cc(Cl)c(Cl)[nH]2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
The InChIKey is UFUQPOYTXHURSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c1-7(19)16-8-3-2-4-9(5-8)17-13(20)11-6-10(14)12(15)18-11/h2-6,18H,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide?
N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide has a molecular weight of 312.16 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 31301489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).