1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide

C18H16Cl2N2O2 — CID 142087798

IUPAC1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H16Cl2N2O2/c19-14-8-7-13(10-15(14)20)11-3-5-12(6-4-11)18(24)22-9-1-2-16(22)17(21)23/h3-8,10,16H,1-2,9H2,(H2,21,23)
InChIKeySKISVNRDNCHAGI-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.75
Rot. Bonds3

About 1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide

1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 142087798) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide
PubChem CID142087798
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H16Cl2N2O2/c19-14-8-7-13(10-15(14)20)11-3-5-12(6-4-11)18(24)22-9-1-2-16(22)17(21)23/h3-8,10,16H,1-2,9H2,(H2,21,23)
InChIKeySKISVNRDNCHAGI-UHFFFAOYSA-N
XLogP3.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide
CID 96510202
1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 126785640
1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 43212216
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734
1-(4-acetamidobenzoyl)pyrrolidine-2-carboxamide
CID 110473581
[4-(2-carbamoylpyrrolidine-1-carbonyl)phenyl]boronic acid
CID 66853498
(2R)-1-(5-bromo-2-chlorobenzoyl)pyrrolidine-2-carboxamide
CID 93418929
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
(2S)-1-[4-(4,5-dimethylpyridazin-3-yl)benzoyl]pyrrolidine-2-carboxamide
CID 162628535
1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 113378308
(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
CID 46986685
1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63972948

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide (CID 142087798) is 1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is SKISVNRDNCHAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c19-14-8-7-13(10-15(14)20)11-3-5-12(6-4-11)18(24)22-9-1-2-16(22)17(21)23/h3-8,10,16H,1-2,9H2,(H2,21,23).
What are the key properties of 1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide?
1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 363.24 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 142087798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).