4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide

C24H18ClN3O3 — CID 46224755

IUPAC4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]c(C(=O)c2ccccc2Cl)c1N
InChIInChI=1S/C24H18ClN3O3/c25-18-9-5-4-8-17(18)23(29)22-20(26)19(24(27)30)21(28-22)14-10-12-16(13-11-14)31-15-6-2-1-3-7-15/h1-13,28H,26H2,(H2,27,30)
InChIKeyRHBGGKPGLIMALC-UHFFFAOYSA-N
MW431.88 g/mol
LogP5.04
Rot. Bonds6

About 4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide

4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 46224755) has the molecular formula C24H18ClN3O3 and a molecular weight of 431.88 g/mol. Its IUPAC name is 4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide
PubChem CID46224755
Molecular FormulaC24H18ClN3O3
Molecular Weight431.88 g/mol
Exact Mass431.10
IUPAC Name4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]c(C(=O)c2ccccc2Cl)c1N
InChIInChI=1S/C24H18ClN3O3/c25-18-9-5-4-8-17(18)23(29)22-20(26)19(24(27)30)21(28-22)14-10-12-16(13-11-14)31-15-6-2-1-3-7-15/h1-13,28H,26H2,(H2,27,30)
InChIKeyRHBGGKPGLIMALC-UHFFFAOYSA-N
XLogP5.04
TPSA111.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.88
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide (CID 46224755) is 4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide is NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]c(C(=O)c2ccccc2Cl)c1N.
What is the InChIKey of 4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is RHBGGKPGLIMALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O3/c25-18-9-5-4-8-17(18)23(29)22-20(26)19(24(27)30)21(28-22)14-10-12-16(13-11-14)31-15-6-2-1-3-7-15/h1-13,28H,26H2,(H2,27,30).
What are the key properties of 4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide?
4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 431.88 g/mol, XLogP of 5.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 46224755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).