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

C24H18FN3O3 — CID 46224872

IUPAC4-amino-5-(4-fluorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]c(C(=O)c2ccc(F)cc2)c1N
InChIInChI=1S/C24H18FN3O3/c25-16-10-6-15(7-11-16)23(29)22-20(26)19(24(27)30)21(28-22)14-8-12-18(13-9-14)31-17-4-2-1-3-5-17/h1-13,28H,26H2,(H2,27,30)
InChIKeyAITDJEDPPDPWDI-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.53
Rot. Bonds6

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

4-amino-5-(4-fluorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 46224872) has the molecular formula C24H18FN3O3 and a molecular weight of 415.42 g/mol. Its IUPAC name is 4-amino-5-(4-fluorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-(4-fluorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide
PubChem CID46224872
Molecular FormulaC24H18FN3O3
Molecular Weight415.42 g/mol
Exact Mass415.13
IUPAC Name4-amino-5-(4-fluorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]c(C(=O)c2ccc(F)cc2)c1N
InChIInChI=1S/C24H18FN3O3/c25-16-10-6-15(7-11-16)23(29)22-20(26)19(24(27)30)21(28-22)14-8-12-18(13-9-14)31-17-4-2-1-3-5-17/h1-13,28H,26H2,(H2,27,30)
InChIKeyAITDJEDPPDPWDI-UHFFFAOYSA-N
XLogP4.53
TPSA111.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-(3,5-dichlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide
CID 46224935
4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide
CID 46224755
4-amino-5-(2,6-difluorobenzoyl)-2-(4-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide
CID 46224994
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
4-(4-fluorophenoxy)benzamide
CID 22142233
1-fluoro-4-(4-phenoxyphenyl)benzene
CID 163618291
(2,4-difluorophenyl)-(4-phenoxyphenyl)methanone
CID 146007872
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
3-(4-fluorophenoxy)-1H-indole-2-carboxamide
CID 11543592
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-fluorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-amino-5-(4-fluorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide (CID 46224872) is 4-amino-5-(4-fluorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-amino-5-(4-fluorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-amino-5-(4-fluorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide is NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]c(C(=O)c2ccc(F)cc2)c1N.
What is the InChIKey of 4-amino-5-(4-fluorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is AITDJEDPPDPWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O3/c25-16-10-6-15(7-11-16)23(29)22-20(26)19(24(27)30)21(28-22)14-8-12-18(13-9-14)31-17-4-2-1-3-5-17/h1-13,28H,26H2,(H2,27,30).
What are the key properties of 4-amino-5-(4-fluorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide?
4-amino-5-(4-fluorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-fluorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 46224872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).