(2S)-N-cyclopropyl-1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine-2-carboxamide

C16H20Cl2N2O2 — CID 164638079

IUPAC(2S)-N-cyclopropyl-1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN1CCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H20Cl2N2O2/c17-11-3-6-13(18)15(10-11)22-9-8-20-7-1-2-14(20)16(21)19-12-4-5-12/h3,6,10,12,14H,1-2,4-5,7-9H2,(H,19,21)/t14-/m0/s1
InChIKeyCFFPZVDMDUQWTM-AWEZNQCLSA-N
MW343.25 g/mol
LogP3.12
Rot. Bonds6

About (2S)-N-cyclopropyl-1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine-2-carboxamide

(2S)-N-cyclopropyl-1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine-2-carboxamide (PubChem CID 164638079) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine-2-carboxamide
PubChem CID164638079
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name(2S)-N-cyclopropyl-1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1CCCN1CCOc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H20Cl2N2O2/c17-11-3-6-13(18)15(10-11)22-9-8-20-7-1-2-14(20)16(21)19-12-4-5-12/h3,6,10,12,14H,1-2,4-5,7-9H2,(H,19,21)/t14-/m0/s1
InChIKeyCFFPZVDMDUQWTM-AWEZNQCLSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-(2,5-dichlorophenoxy)acetamide
CID 841562
tert-butyl 1-[2-(5-chloro-2-iodophenoxy)ethyl]pyrrolidine-2-carboxylate
CID 69007999
methyl 2-[(4S)-1-[2-(2,5-dichlorophenoxy)ethyl]azepan-4-yl]acetate
CID 124730726
(2S)-1-[2-(3-chlorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 167816033
1-(5-chloro-2-methoxybenzoyl)-N-cycloheptylpyrrolidine-2-carboxamide
CID 55624080
(2S)-1-[2-(3,5-dichlorophenoxy)ethyl]-N-methylpiperidine-2-carboxamide
CID 97062239
1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
CID 2364331
1-[2-[2-(3-chlorophenyl)sulfanylphenoxy]ethyl]pyrrolidine-2-carboxylic acid
CID 69010220
N-cyclopropyl-1-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 110903400
4-chloro-2-[3-(cyclopropylamino)-3-oxopropoxy]benzoic acid
CID 55098633
(2S)-1-[3-(2,4-dichlorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365280
N-cyclopropyl-1-[(1-methyl-2-oxo-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 47377026

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopropyl-1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine-2-carboxamide (CID 164638079) is (2S)-N-cyclopropyl-1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopropyl-1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopropyl-1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine-2-carboxamide is O=C(NC1CC1)[C@@H]1CCCN1CCOc1cc(Cl)ccc1Cl.
What is the InChIKey of (2S)-N-cyclopropyl-1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is CFFPZVDMDUQWTM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c17-11-3-6-13(18)15(10-11)22-9-8-20-7-1-2-14(20)16(21)19-12-4-5-12/h3,6,10,12,14H,1-2,4-5,7-9H2,(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine-2-carboxamide?
(2S)-N-cyclopropyl-1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 343.25 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 164638079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).