2-(2-chlorophenyl)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide

C22H26ClN3O2 — CID 87010445

IUPAC2-(2-chlorophenyl)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)N2CCCC2c2ccccc2Cl)c1
InChIInChI=1S/C22H26ClN3O2/c1-3-25(4-2)21(27)16-9-7-10-17(15-16)24-22(28)26-14-8-13-20(26)18-11-5-6-12-19(18)23/h5-7,9-12,15,20H,3-4,8,13-14H2,1-2H3,(H,24,28)
InChIKeyHBLBGFBEPOIGMK-UHFFFAOYSA-N
MW399.92 g/mol
LogP5.19
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide

2-(2-chlorophenyl)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 87010445) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID87010445
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name2-(2-chlorophenyl)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)N2CCCC2c2ccccc2Cl)c1
InChIInChI=1S/C22H26ClN3O2/c1-3-25(4-2)21(27)16-9-7-10-17(15-16)24-22(28)26-14-8-13-20(26)18-11-5-6-12-19(18)23/h5-7,9-12,15,20H,3-4,8,13-14H2,1-2H3,(H,24,28)
InChIKeyHBLBGFBEPOIGMK-UHFFFAOYSA-N
XLogP5.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.92
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-N-[3-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 87010464
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
(2R)-2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 94196270
2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47330063
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856073
ethyl 2-[[(2S)-2-(2-chlorophenyl)pyrrolidine-1-carbonyl]amino]acetate
CID 94610145
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 102556035
3-[[2-[4-(azepane-1-carbonyl)piperidin-1-yl]acetyl]amino]-N,N-diethylbenzamide
CID 26666862
(2S)-2-(2-chlorophenyl)-N-cyclopentylpyrrolidine-1-carboxamide
CID 51694860

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide (CID 87010445) is 2-(2-chlorophenyl)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)N2CCCC2c2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is HBLBGFBEPOIGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-3-25(4-2)21(27)16-9-7-10-17(15-16)24-22(28)26-14-8-13-20(26)18-11-5-6-12-19(18)23/h5-7,9-12,15,20H,3-4,8,13-14H2,1-2H3,(H,24,28).
What are the key properties of 2-(2-chlorophenyl)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide?
2-(2-chlorophenyl)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-(diethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87010445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).