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

C25H19F2N3O3 — CID 46224994

IUPAC4-amino-5-(2,6-difluorobenzoyl)-2-(4-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(OCc3ccccc3)cc2)[nH]c(C(=O)c2c(F)cccc2F)c1N
InChIInChI=1S/C25H19F2N3O3/c26-17-7-4-8-18(27)19(17)24(31)23-21(28)20(25(29)32)22(30-23)15-9-11-16(12-10-15)33-13-14-5-2-1-3-6-14/h1-12,30H,13,28H2,(H2,29,32)
InChIKeyFSPFCPLNNWJBMA-UHFFFAOYSA-N
MW447.44 g/mol
LogP4.45
Rot. Bonds7

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

4-amino-5-(2,6-difluorobenzoyl)-2-(4-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 46224994) has the molecular formula C25H19F2N3O3 and a molecular weight of 447.44 g/mol. Its IUPAC name is 4-amino-5-(2,6-difluorobenzoyl)-2-(4-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-(2,6-difluorobenzoyl)-2-(4-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide
PubChem CID46224994
Molecular FormulaC25H19F2N3O3
Molecular Weight447.44 g/mol
Exact Mass447.14
IUPAC Name4-amino-5-(2,6-difluorobenzoyl)-2-(4-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide
SMILESNC(=O)c1c(-c2ccc(OCc3ccccc3)cc2)[nH]c(C(=O)c2c(F)cccc2F)c1N
InChIInChI=1S/C25H19F2N3O3/c26-17-7-4-8-18(27)19(17)24(31)23-21(28)20(25(29)32)22(30-23)15-9-11-16(12-10-15)33-13-14-5-2-1-3-6-14/h1-12,30H,13,28H2,(H2,29,32)
InChIKeyFSPFCPLNNWJBMA-UHFFFAOYSA-N
XLogP4.45
TPSA111.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 54.45
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
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
[2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone
CID 102235937
3-fluoro-5-phenylmethoxybenzamide
CID 155798135
3-[(4-fluorophenoxy)methyl]benzamide
CID 47027867
2-oxo-2-[(4-phenylmethoxyphenyl)methoxy]acetic acid
CID 57045753
2-phenyl-3-(4-phenylmethoxyphenyl)-1H-indole
CID 139885625
2-(4-phenylmethoxyphenoxy)ethyl carbamate
CID 175203951
(7S)-2-(4-phenylmethoxyphenyl)-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163402557
4-phenylmethoxyaniline
CID 159966727
4-phenylmethoxybenzoyl fluoride
CID 154719359
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(2,6-difluorobenzoyl)-2-(4-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 4-amino-5-(2,6-difluorobenzoyl)-2-(4-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide (CID 46224994) is 4-amino-5-(2,6-difluorobenzoyl)-2-(4-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 4-amino-5-(2,6-difluorobenzoyl)-2-(4-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 4-amino-5-(2,6-difluorobenzoyl)-2-(4-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide is NC(=O)c1c(-c2ccc(OCc3ccccc3)cc2)[nH]c(C(=O)c2c(F)cccc2F)c1N.
What is the InChIKey of 4-amino-5-(2,6-difluorobenzoyl)-2-(4-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is FSPFCPLNNWJBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O3/c26-17-7-4-8-18(27)19(17)24(31)23-21(28)20(25(29)32)22(30-23)15-9-11-16(12-10-15)33-13-14-5-2-1-3-6-14/h1-12,30H,13,28H2,(H2,29,32).
What are the key properties of 4-amino-5-(2,6-difluorobenzoyl)-2-(4-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide?
4-amino-5-(2,6-difluorobenzoyl)-2-(4-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 447.44 g/mol, XLogP of 4.45, 7 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-phenylmethoxyphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 46224994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).