N-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C16H23ClN2O2 — CID 106979999

IUPACN-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2(C(C)C)CCNC2)cc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-4-21-14-6-5-12(9-13(14)17)19-15(20)16(11(2)3)7-8-18-10-16/h5-6,9,11,18H,4,7-8,10H2,1-3H3,(H,19,20)
InChIKeyWHAHKHJMMYOAIH-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.31
Rot. Bonds5

About N-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106979999) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106979999
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2(C(C)C)CCNC2)cc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-4-21-14-6-5-12(9-13(14)17)19-15(20)16(11(2)3)7-8-18-10-16/h5-6,9,11,18H,4,7-8,10H2,1-3H3,(H,19,20)
InChIKeyWHAHKHJMMYOAIH-UHFFFAOYSA-N
XLogP3.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979908
N-(3-bromo-4-methoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980846
1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119285029
N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979554
N-(3-chloro-4-ethoxyphenyl)-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 100668194
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperidine-4-carboxamide
CID 63127333
N-(3-chloro-4-ethoxyphenyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611203
2-fluoro-4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 107795101
N-(2-chloro-5-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107528499
3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106980261
N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979641

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106979999) is N-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CCOc1ccc(NC(=O)C2(C(C)C)CCNC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is WHAHKHJMMYOAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-4-21-14-6-5-12(9-13(14)17)19-15(20)16(11(2)3)7-8-18-10-16/h5-6,9,11,18H,4,7-8,10H2,1-3H3,(H,19,20).
What are the key properties of N-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 310.83 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-ethoxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106979999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).