N-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H22FN3O3 — CID 22831152

IUPACN-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)CC2=O)cc1F
InChIInChI=1S/C22H22FN3O3/c1-13-2-9-18(11-19(13)23)26-12-15(10-20(26)27)22(29)25-16-5-3-14(4-6-16)21(28)24-17-7-8-17/h2-6,9,11,15,17H,7-8,10,12H2,1H3,(H,24,28)(H,25,29)
InChIKeyHWAKSOFCLFXDQK-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.02
Rot. Bonds5

About N-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 22831152) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID22831152
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)CC2=O)cc1F
InChIInChI=1S/C22H22FN3O3/c1-13-2-9-18(11-19(13)23)26-12-15(10-20(26)27)22(29)25-16-5-3-14(4-6-16)21(28)24-17-7-8-17/h2-6,9,11,15,17H,7-8,10,12H2,1H3,(H,24,28)(H,25,29)
InChIKeyHWAKSOFCLFXDQK-UHFFFAOYSA-N
XLogP3.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3-fluoro-4-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528944
(3R)-1-(4-bromophenyl)-N-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124528847
(3S)-N-(2,4-dimethylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 33398015
(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378747
(3S)-N-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 680186
(3S)-N-(3-fluoro-4-methylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 124528877
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40977070
N-[3-(cyclopropylcarbamoyl)phenyl]-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46569296
N-(3-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42939717
1-(3-chloro-4-methylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113187821
N-[4-(cyclopentylcarbamoyl)phenyl]-5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 71863098
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 9393411

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 22831152) is N-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)CC2=O)cc1F.
What is the InChIKey of N-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HWAKSOFCLFXDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-13-2-9-18(11-19(13)23)26-12-15(10-20(26)27)22(29)25-16-5-3-14(4-6-16)21(28)24-17-7-8-17/h2-6,9,11,15,17H,7-8,10,12H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoyl)phenyl]-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 22831152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).