N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide

C19H20Cl2N2O — CID 166625589

IUPACN-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1)C1CCCN1
InChIInChI=1S/C19H20Cl2N2O/c20-16-8-7-15(12-17(16)21)14-5-3-13(4-6-14)9-11-23-19(24)18-2-1-10-22-18/h3-8,12,18,22H,1-2,9-11H2,(H,23,24)
InChIKeyUVPFMYAYKIDBSB-UHFFFAOYSA-N
MW363.29 g/mol
LogP4.07
Rot. Bonds5

About N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide

N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 166625589) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide
PubChem CID166625589
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC NameN-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1)C1CCCN1
InChIInChI=1S/C19H20Cl2N2O/c20-16-8-7-15(12-17(16)21)14-5-3-13(4-6-14)9-11-23-19(24)18-2-1-10-22-18/h3-8,12,18,22H,1-2,9-11H2,(H,23,24)
InChIKeyUVPFMYAYKIDBSB-UHFFFAOYSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
(2S)-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119263955
N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119312582
(2R)-N-[2-(3,4-dichlorophenyl)ethyl]-6-oxopiperidine-2-carboxamide
CID 146133576
N-[2-(3,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83632123
N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119262908
4-[2-[[(2S)-piperidine-2-carbonyl]amino]ethyl]benzoic acid
CID 103869402
N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 61276083
N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119317579
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
(2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide
CID 61474678
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119264764

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide (CID 166625589) is N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1ccc(-c2ccc(Cl)c(Cl)c2)cc1)C1CCCN1.
What is the InChIKey of N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is UVPFMYAYKIDBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c20-16-8-7-15(12-17(16)21)14-5-3-13(4-6-14)9-11-23-19(24)18-2-1-10-22-18/h3-8,12,18,22H,1-2,9-11H2,(H,23,24).
What are the key properties of N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide?
N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 363.29 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166625589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).