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

C24H17Cl2N3O3 — CID 46224935

IUPAC4-amino-5-(3,5-dichlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]c(C(=O)c2cc(Cl)cc(Cl)c2)c1N
InChIInChI=1S/C24H17Cl2N3O3/c25-15-10-14(11-16(26)12-15)23(30)22-20(27)19(24(28)31)21(29-22)13-6-8-18(9-7-13)32-17-4-2-1-3-5-17/h1-12,29H,27H2,(H2,28,31)
InChIKeyNYNVPRZTZIRTBL-UHFFFAOYSA-N
MW466.32 g/mol
LogP5.69
Rot. Bonds6

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

4-amino-5-(3,5-dichlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 46224935) has the molecular formula C24H17Cl2N3O3 and a molecular weight of 466.32 g/mol. Its IUPAC name is 4-amino-5-(3,5-dichlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-(3,5-dichlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide
PubChem CID46224935
Molecular FormulaC24H17Cl2N3O3
Molecular Weight466.32 g/mol
Exact Mass465.06
IUPAC Name4-amino-5-(3,5-dichlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]c(C(=O)c2cc(Cl)cc(Cl)c2)c1N
InChIInChI=1S/C24H17Cl2N3O3/c25-15-10-14(11-16(26)12-15)23(30)22-20(27)19(24(28)31)21(29-22)13-6-8-18(9-7-13)32-17-4-2-1-3-5-17/h1-12,29H,27H2,(H2,28,31)
InChIKeyNYNVPRZTZIRTBL-UHFFFAOYSA-N
XLogP5.69
TPSA111.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.32
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-(4-fluorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide
CID 46224872
4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide
CID 46224755
3,5-dichloroaniline;2-methyl-4-phenoxybenzamide
CID 174930679
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
(2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone
CID 69006998
bis[3,5-bis(3,5-diphenoxyphenyl)phenyl]methanone
CID 58240025
2-[(3,5-dichlorobenzoyl)amino]-4-phenoxybenzoic acid
CID 67344063
5-phenoxy-1H-indole-2-carboxamide
CID 58720348
2-(4-phenoxyphenyl)-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1,8-dicarboxamide
CID 175750463
(E)-but-2-enedioic acid;4-phenoxybenzamide
CID 68593915
4-phenoxy-2,6-di(propan-2-yl)benzamide
CID 174677959

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(3,5-dichlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-amino-5-(3,5-dichlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide (CID 46224935) is 4-amino-5-(3,5-dichlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-amino-5-(3,5-dichlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-amino-5-(3,5-dichlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide is NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]c(C(=O)c2cc(Cl)cc(Cl)c2)c1N.
What is the InChIKey of 4-amino-5-(3,5-dichlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is NYNVPRZTZIRTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O3/c25-15-10-14(11-16(26)12-15)23(30)22-20(27)19(24(28)31)21(29-22)13-6-8-18(9-7-13)32-17-4-2-1-3-5-17/h1-12,29H,27H2,(H2,28,31).
What are the key properties of 4-amino-5-(3,5-dichlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide?
4-amino-5-(3,5-dichlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 466.32 g/mol, XLogP of 5.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(3,5-dichlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 46224935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).