4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carboxamide

C12H8Cl2N2O2 — CID 1478398

IUPAC4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(C(=O)c2cccc(Cl)c2Cl)c[nH]1
InChIInChI=1S/C12H8Cl2N2O2/c13-8-3-1-2-7(10(8)14)11(17)6-4-9(12(15)18)16-5-6/h1-5,16H,(H2,15,18)
InChIKeyMZDZXABCBJBFJY-UHFFFAOYSA-N
MW283.11 g/mol
LogP2.65
Rot. Bonds3

About 4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carboxamide

4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carboxamide (PubChem CID 1478398) has the molecular formula C12H8Cl2N2O2 and a molecular weight of 283.11 g/mol. Its IUPAC name is 4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carboxamide
PubChem CID1478398
Molecular FormulaC12H8Cl2N2O2
Molecular Weight283.11 g/mol
Exact Mass282.00
IUPAC Name4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(C(=O)c2cccc(Cl)c2Cl)c[nH]1
InChIInChI=1S/C12H8Cl2N2O2/c13-8-3-1-2-7(10(8)14)11(17)6-4-9(12(15)18)16-5-6/h1-5,16H,(H2,15,18)
InChIKeyMZDZXABCBJBFJY-UHFFFAOYSA-N
XLogP2.65
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trichloro-1-[4-(2,3-dichlorobenzoyl)-1H-pyrrol-2-yl]ethanone
CID 4271561
4-(2,4-dichlorobenzoyl)-1H-pyrrole-2-carboxamide
CID 2764351
(3-aminophenyl)-(2,3-dichlorophenyl)methanone
CID 116548558
2,3-dichlorobenzamide;hydron
CID 69226563
(2,3-dichlorophenyl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 107502317
[4-[4-(2,3-dichlorobenzoyl)phenoxy]phenyl]-(2,3-dichlorophenyl)methanone
CID 67201726
(2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 63411424
(2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 114970427
4-(2,3-dichlorobenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 1489246
(2,3-dichlorophenyl)-(3-ethoxyphenyl)methanone
CID 55188094
(Z)-4-amino-2-(2,3-dichlorophenyl)-4-oxobut-2-enoic acid
CID 19910847
4-(2,6-dichlorobenzoyl)-N-(thiophen-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 1491157

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carboxamide (CID 1478398) is 4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carboxamide is NC(=O)c1cc(C(=O)c2cccc(Cl)c2Cl)c[nH]1.
What is the InChIKey of 4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carboxamide?
The InChIKey is MZDZXABCBJBFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O2/c13-8-3-1-2-7(10(8)14)11(17)6-4-9(12(15)18)16-5-6/h1-5,16H,(H2,15,18).
What are the key properties of 4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carboxamide?
4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carboxamide has a molecular weight of 283.11 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorobenzoyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1478398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).