N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide

C13H16Cl2N2O — CID 83080071

IUPACN-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2cc(Cl)ccc2Cl)CCCN1
InChIInChI=1S/C13H16Cl2N2O/c1-2-13(6-3-7-16-13)12(18)17-11-8-9(14)4-5-10(11)15/h4-5,8,16H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyAAZAETJKVMUGKS-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.46
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide

N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83080071) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide
PubChem CID83080071
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC NameN-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2cc(Cl)ccc2Cl)CCCN1
InChIInChI=1S/C13H16Cl2N2O/c1-2-13(6-3-7-16-13)12(18)17-11-8-9(14)4-5-10(11)15/h4-5,8,16H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyAAZAETJKVMUGKS-UHFFFAOYSA-N
XLogP3.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107679774
2-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 83080609
N-[1-(2,4-dichlorophenyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 83080607
N-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080333
N-(2,3-difluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071591
N-(2-chloro-6-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071716
2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 83071800
N-(5-chloro-1,3-benzothiazol-4-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83072254
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-4-hydroxybenzoic acid
CID 107265136
2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 83072170
2-ethyl-N-(2-ethylsulfonylphenyl)pyrrolidine-2-carboxamide
CID 83063260
N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071648

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide (CID 83080071) is N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)Nc2cc(Cl)ccc2Cl)CCCN1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is AAZAETJKVMUGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-2-13(6-3-7-16-13)12(18)17-11-8-9(14)4-5-10(11)15/h4-5,8,16H,2-3,6-7H2,1H3,(H,17,18).
What are the key properties of N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide?
N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 287.19 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83080071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).