4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide

C22H24Cl2F2N2O — CID 145021337

IUPAC4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide
SMILESCC(C)(CF)CC1NCC(c2cccc(Cl)c2F)C1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H24Cl2F2N2O/c1-22(2,12-25)10-18-19(21(29)28-14-6-3-5-13(23)9-14)16(11-27-18)15-7-4-8-17(24)20(15)26/h3-9,16,18-19,27H,10-12H2,1-2H3,(H,28,29)
InChIKeySRGZPKJXZXZSTK-UHFFFAOYSA-N
MW441.35 g/mol
LogP5.83
Rot. Bonds6

About 4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide

4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide (PubChem CID 145021337) has the molecular formula C22H24Cl2F2N2O and a molecular weight of 441.35 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide
PubChem CID145021337
Molecular FormulaC22H24Cl2F2N2O
Molecular Weight441.35 g/mol
Exact Mass440.12
IUPAC Name4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide
SMILESCC(C)(CF)CC1NCC(c2cccc(Cl)c2F)C1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C22H24Cl2F2N2O/c1-22(2,12-25)10-18-19(21(29)28-14-6-3-5-13(23)9-14)16(11-27-18)15-7-4-8-17(24)20(15)26/h3-9,16,18-19,27H,10-12H2,1-2H3,(H,28,29)
InChIKeySRGZPKJXZXZSTK-UHFFFAOYSA-N
XLogP5.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.35
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide;4-formamido-3-methoxybenzoic acid
CID 145021336
N,4-bis(3-chlorophenyl)-2-(2,2-dimethylpropyl)pyrrolidine-3-carboxamide
CID 138744601
3-[4-(3-chloro-2-fluorophenyl)-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-ol
CID 129059515
(5S)-3-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-5-methyl-1-propylpyrrolidine-2-carboxamide
CID 145289480
2-(4-amino-2,2-dimethylbutyl)-4-(3-chloro-2-fluorophenyl)pyrrolidine-3-carbonitrile
CID 129059464
(5R)-3-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-1-(cyclopentylmethyl)-5-(hydroxymethyl)pyrrolidine-2-carboxamide
CID 138646518
4-(3-chloro-2-fluorophenyl)-2-(2-methyl-2-phenylpropyl)pyrrolidine-3-carbonitrile
CID 129059448
4-(3-chloro-2-fluorophenyl)-2-(2-ethyl-2-methylbutyl)pyrrolidine-3-carbonitrile
CID 129059689
3-[[(2R,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carbonyl]amino]benzoic acid
CID 148936526
3-[[(2S,3S,4S)-2-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-3-cyano-4-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 51354449
3-(3-chloro-2-fluorophenyl)-4-N-(3-chlorophenyl)-2-N-methyl-1-azaspiro[4.5]decane-2,4-dicarboxamide
CID 146410775
4-(3-chloro-2-fluorophenyl)-2-(2,2-dimethylbut-3-enyl)pyrrolidin-3-amine
CID 129059432

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide (CID 145021337) is 4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide is CC(C)(CF)CC1NCC(c2cccc(Cl)c2F)C1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is SRGZPKJXZXZSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2F2N2O/c1-22(2,12-25)10-18-19(21(29)28-14-6-3-5-13(23)9-14)16(11-27-18)15-7-4-8-17(24)20(15)26/h3-9,16,18-19,27H,10-12H2,1-2H3,(H,28,29).
What are the key properties of 4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide?
4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 441.35 g/mol, XLogP of 5.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-(3-fluoro-2,2-dimethylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 145021337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).