4-amino-5-(2,6-difluorobenzoyl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide

C19H15F2N3O3 — CID 46224969

IUPAC4-amino-5-(2,6-difluorobenzoyl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCOc1ccc(-c2[nH]c(C(=O)c3c(F)cccc3F)c(N)c2C(N)=O)cc1
InChIInChI=1S/C19H15F2N3O3/c1-27-10-7-5-9(6-8-10)16-14(19(23)26)15(22)17(24-16)18(25)13-11(20)3-2-4-12(13)21/h2-8,24H,22H2,1H3,(H2,23,26)
InChIKeyJACWEGUQNPPNAK-UHFFFAOYSA-N
MW371.34 g/mol
LogP2.88
Rot. Bonds5

About 4-amino-5-(2,6-difluorobenzoyl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide

4-amino-5-(2,6-difluorobenzoyl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 46224969) has the molecular formula C19H15F2N3O3 and a molecular weight of 371.34 g/mol. Its IUPAC name is 4-amino-5-(2,6-difluorobenzoyl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-(2,6-difluorobenzoyl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide
PubChem CID46224969
Molecular FormulaC19H15F2N3O3
Molecular Weight371.34 g/mol
Exact Mass371.11
IUPAC Name4-amino-5-(2,6-difluorobenzoyl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESCOc1ccc(-c2[nH]c(C(=O)c3c(F)cccc3F)c(N)c2C(N)=O)cc1
InChIInChI=1S/C19H15F2N3O3/c1-27-10-7-5-9(6-8-10)16-14(19(23)26)15(22)17(24-16)18(25)13-11(20)3-2-4-12(13)21/h2-8,24H,22H2,1H3,(H2,23,26)
InChIKeyJACWEGUQNPPNAK-UHFFFAOYSA-N
XLogP2.88
TPSA111.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-(2-chlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide
CID 46224755
4-amino-5-(3,5-dichlorobenzoyl)-2-(4-phenoxyphenyl)-1H-pyrrole-3-carboxamide
CID 46224935
2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 59587398
2-(2-chloro-6-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
CID 59587669
CID 161042703
CID 161042703
2-fluoro-6-hydroxybenzamide
CID 15219200
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
CID 3022167
(2,6-difluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 896999
3-fluoro-2-(4-methoxyphenyl)benzaldehyde
CID 135055449
N-[2-[(2,6-difluorobenzoyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084206
3-amino-N-[(Z)-1-(2,6-difluorophenyl)ethylideneamino]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 8869800
2-(4-amino-2-fluoro-5-methoxyphenoxy)-6-fluorobenzamide
CID 107259866

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2,6-difluorobenzoyl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-amino-5-(2,6-difluorobenzoyl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide (CID 46224969) is 4-amino-5-(2,6-difluorobenzoyl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-amino-5-(2,6-difluorobenzoyl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-amino-5-(2,6-difluorobenzoyl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide is COc1ccc(-c2[nH]c(C(=O)c3c(F)cccc3F)c(N)c2C(N)=O)cc1.
What is the InChIKey of 4-amino-5-(2,6-difluorobenzoyl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is JACWEGUQNPPNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3/c1-27-10-7-5-9(6-8-10)16-14(19(23)26)15(22)17(24-16)18(25)13-11(20)3-2-4-12(13)21/h2-8,24H,22H2,1H3,(H2,23,26).
What are the key properties of 4-amino-5-(2,6-difluorobenzoyl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide?
4-amino-5-(2,6-difluorobenzoyl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 371.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(2,6-difluorobenzoyl)-2-(4-methoxyphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 46224969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).