2-amino-5-benzoyl-4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide

C18H13Cl2N3O2 — CID 56588229

IUPAC2-amino-5-benzoyl-4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2N3O2/c19-10-6-7-11(12(20)8-10)13-14(18(22)25)17(21)23-15(13)16(24)9-4-2-1-3-5-9/h1-8,23H,21H2,(H2,22,25)
InChIKeyABEULOGFUCVLCJ-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.90
Rot. Bonds4

About 2-amino-5-benzoyl-4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide

2-amino-5-benzoyl-4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide (PubChem CID 56588229) has the molecular formula C18H13Cl2N3O2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 2-amino-5-benzoyl-4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-benzoyl-4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide
PubChem CID56588229
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.23 g/mol
Exact Mass373.04
IUPAC Name2-amino-5-benzoyl-4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H13Cl2N3O2/c19-10-6-7-11(12(20)8-10)13-14(18(22)25)17(21)23-15(13)16(24)9-4-2-1-3-5-9/h1-8,23H,21H2,(H2,22,25)
InChIKeyABEULOGFUCVLCJ-UHFFFAOYSA-N
XLogP3.90
TPSA101.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-benzoyl-4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-amino-5-benzoyl-4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide (CID 56588229) is 2-amino-5-benzoyl-4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-amino-5-benzoyl-4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-amino-5-benzoyl-4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide is NC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-amino-5-benzoyl-4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is ABEULOGFUCVLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2/c19-10-6-7-11(12(20)8-10)13-14(18(22)25)17(21)23-15(13)16(24)9-4-2-1-3-5-9/h1-8,23H,21H2,(H2,22,25).
What are the key properties of 2-amino-5-benzoyl-4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide?
2-amino-5-benzoyl-4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 374.23 g/mol, XLogP of 3.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-benzoyl-4-(2,4-dichlorophenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 56588229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).