1-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxamide

C19H15Cl2N3O2 — CID 69015488

IUPAC1-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxamide
SMILESN#Cc1ccc(C(=O)N2CC(C(N)=O)C(c3ccc(Cl)c(Cl)c3)C2)cc1
InChIInChI=1S/C19H15Cl2N3O2/c20-16-6-5-13(7-17(16)21)14-9-24(10-15(14)18(23)25)19(26)12-3-1-11(8-22)2-4-12/h1-7,14-15H,9-10H2,(H2,23,25)
InChIKeyKDDCTOXPIQODLX-UHFFFAOYSA-N
MW388.25 g/mol
LogP3.21
Rot. Bonds3

About 1-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxamide

1-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxamide (PubChem CID 69015488) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 1-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxamide
PubChem CID69015488
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC Name1-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxamide
SMILESN#Cc1ccc(C(=O)N2CC(C(N)=O)C(c3ccc(Cl)c(Cl)c3)C2)cc1
InChIInChI=1S/C19H15Cl2N3O2/c20-16-6-5-13(7-17(16)21)14-9-24(10-15(14)18(23)25)19(26)12-3-1-11(8-22)2-4-12/h1-7,14-15H,9-10H2,(H2,23,25)
InChIKeyKDDCTOXPIQODLX-UHFFFAOYSA-N
XLogP3.21
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3S,4S)-3-(3,4-dichlorophenyl)-4-(methylamino)pyrrolidine-1-carbonyl]benzonitrile
CID 67217969
4-[(3S,4S)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 67131449
6-cyano-N-[(3S,4R)-1-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-2H-pyridine-1-carboxamide
CID 67026268
4-[(3S)-3-(3,4-dichlorophenyl)-4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl-methylamino]pyrrolidine-1-carbonyl]benzonitrile
CID 143971899
(3S,4R)-4-(3,4-dichlorophenyl)-1-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidine-3-carboxamide
CID 69081894
cis-(1R,2S)-2-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 95245016
N-[(3S,4R)-1-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-6-(ethoxymethyl)-N-methyl-2H-pyridine-1-carboxamide
CID 67026110
6-[2-[4-(3,4-dichlorophenyl)-1-(6-methoxypyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 68728972
(3S,4S)-1-(4-cyanobenzoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120949197
6-[2-[4-(3,4-dichlorophenyl)-1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 68728044
6-[[(3S,4S)-4-(3,4-dichlorophenyl)-1-(6-methylpyridazine-4-carbonyl)pyrrolidin-3-yl]methyl-methylamino]pyridine-3-carbonitrile
CID 59448290
(3S,4R)-3-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxamide
CID 87657239

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxamide (CID 69015488) is 1-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxamide is N#Cc1ccc(C(=O)N2CC(C(N)=O)C(c3ccc(Cl)c(Cl)c3)C2)cc1.
What is the InChIKey of 1-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is KDDCTOXPIQODLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c20-16-6-5-13(7-17(16)21)14-9-24(10-15(14)18(23)25)19(26)12-3-1-11(8-22)2-4-12/h1-7,14-15H,9-10H2,(H2,23,25).
What are the key properties of 1-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxamide?
1-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 388.25 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanobenzoyl)-4-(3,4-dichlorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 69015488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).