4-(2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-2,5-dihydropyrrole-1-carboxamide

C25H27F2N3O3 — CID 70961813

IUPAC4-(2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-2,5-dihydropyrrole-1-carboxamide
SMILESCOc1cccc(C2C=C(c3cc(F)ccc3F)CN2C(=O)N(C)CC2CCC(=O)N2C)c1
InChIInChI=1S/C25H27F2N3O3/c1-28(15-19-8-10-24(31)29(19)2)25(32)30-14-17(21-13-18(26)7-9-22(21)27)12-23(30)16-5-4-6-20(11-16)33-3/h4-7,9,11-13,19,23H,8,10,14-15H2,1-3H3
InChIKeyUXIDABSWXIVDQX-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.09
Rot. Bonds5

About 4-(2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-2,5-dihydropyrrole-1-carboxamide

4-(2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-2,5-dihydropyrrole-1-carboxamide (PubChem CID 70961813) has the molecular formula C25H27F2N3O3 and a molecular weight of 455.51 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-2,5-dihydropyrrole-1-carboxamide
PubChem CID70961813
Molecular FormulaC25H27F2N3O3
Molecular Weight455.51 g/mol
Exact Mass455.20
IUPAC Name4-(2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-2,5-dihydropyrrole-1-carboxamide
SMILESCOc1cccc(C2C=C(c3cc(F)ccc3F)CN2C(=O)N(C)CC2CCC(=O)N2C)c1
InChIInChI=1S/C25H27F2N3O3/c1-28(15-19-8-10-24(31)29(19)2)25(32)30-14-17(21-13-18(26)7-9-22(21)27)12-23(30)16-5-4-6-20(11-16)33-3/h4-7,9,11-13,19,23H,8,10,14-15H2,1-3H3
InChIKeyUXIDABSWXIVDQX-UHFFFAOYSA-N
XLogP4.09
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N-methyl-N-[2-(1H-1,2,4-triazol-2-ium-2-yl)ethyl]-2,5-dihydropyrrole-1-carboxamide
CID 58641187
(2R)-2-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-3-methylbutan-1-one
CID 24901495
3-[4-(2,5-difluorophenyl)-1-methyl-2,5-dihydropyrrol-2-yl]phenol
CID 142843142
(3S)-3-amino-4-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-4-oxobutanoic acid
CID 68899175
4-(2,5-difluorophenyl)-1-methyl-2-(3-methylphenyl)-2,5-dihydropyrrole
CID 142843060
(2S)-4-(2,5-difluorophenyl)-1-(2-ethylsulfonylethyl)-2-phenyl-2,5-dihydropyrrole
CID 58641378
(3S)-3-amino-4-[4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydropyrrol-1-yl]-1-hydroxybutan-2-one
CID 91593238
(5R)-1-[(2,5-difluorophenyl)methyl]-5-[2-[(3-methoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 26280880
2-(2,4-difluorophenyl)-1-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 100739983
2-(2,5-difluorophenyl)-1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 128965980
2-[[2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 94454003
(5R,6R)-1-ethyl-6-(3-methoxyphenyl)-5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 110087742

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of 4-(2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-2,5-dihydropyrrole-1-carboxamide (CID 70961813) is 4-(2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for 4-(2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for 4-(2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-2,5-dihydropyrrole-1-carboxamide is COc1cccc(C2C=C(c3cc(F)ccc3F)CN2C(=O)N(C)CC2CCC(=O)N2C)c1.
What is the InChIKey of 4-(2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is UXIDABSWXIVDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N3O3/c1-28(15-19-8-10-24(31)29(19)2)25(32)30-14-17(21-13-18(26)7-9-22(21)27)12-23(30)16-5-4-6-20(11-16)33-3/h4-7,9,11-13,19,23H,8,10,14-15H2,1-3H3.
What are the key properties of 4-(2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-2,5-dihydropyrrole-1-carboxamide?
4-(2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-2-(3-methoxyphenyl)-N-methyl-N-[(1-methyl-5-oxopyrrolidin-2-yl)methyl]-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 70961813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).