2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide

C23H29FN2O3 — CID 60614114

IUPAC2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)NCC(C)(C)c2ccccc2F)c(OC)c1
InChIInChI=1S/C23H29FN2O3/c1-23(2,18-8-5-6-9-19(18)24)15-25-22(27)26-13-7-10-20(26)17-12-11-16(28-3)14-21(17)29-4/h5-6,8-9,11-12,14,20H,7,10,13,15H2,1-4H3,(H,25,27)
InChIKeySYNGKTMLLBKJHW-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.67
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide

2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide (PubChem CID 60614114) has the molecular formula C23H29FN2O3 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide
PubChem CID60614114
Molecular FormulaC23H29FN2O3
Molecular Weight400.49 g/mol
Exact Mass400.22
IUPAC Name2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(C2CCCN2C(=O)NCC(C)(C)c2ccccc2F)c(OC)c1
InChIInChI=1S/C23H29FN2O3/c1-23(2,18-8-5-6-9-19(18)24)15-25-22(27)26-13-7-10-20(26)17-12-11-16(28-3)14-21(17)29-4/h5-6,8-9,11-12,14,20H,7,10,13,15H2,1-4H3,(H,25,27)
InChIKeySYNGKTMLLBKJHW-UHFFFAOYSA-N
XLogP4.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 60543433
N-[(1-benzylpiperidin-4-yl)methyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 60586832
methyl N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 75404379
(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 30238687
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 51255933
N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 17473150
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 46411403
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)propan-1-one
CID 43048071
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(methylamino)butan-1-one
CID 119693379
2-(2,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 47862645
2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide
CID 51111508

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide (CID 60614114) is 2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide is COc1ccc(C2CCCN2C(=O)NCC(C)(C)c2ccccc2F)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide?
The InChIKey is SYNGKTMLLBKJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3/c1-23(2,18-8-5-6-9-19(18)24)15-25-22(27)26-13-7-10-20(26)17-12-11-16(28-3)14-21(17)29-4/h5-6,8-9,11-12,14,20H,7,10,13,15H2,1-4H3,(H,25,27).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide?
2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-[2-(2-fluorophenyl)-2-methylpropyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 60614114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).