(3S)-3-acetamido-N-[2-(3-chlorophenyl)ethyl]pyrrolidine-1-carboxamide

C15H20ClN3O2 — CID 126422746

IUPAC(3S)-3-acetamido-N-[2-(3-chlorophenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCC(=O)N[C@H]1CCN(C(=O)NCCc2cccc(Cl)c2)C1
InChIInChI=1S/C15H20ClN3O2/c1-11(20)18-14-6-8-19(10-14)15(21)17-7-5-12-3-2-4-13(16)9-12/h2-4,9,14H,5-8,10H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1
InChIKeyTVAKZCYNLQKOSS-AWEZNQCLSA-N
MW309.80 g/mol
LogP1.80
Rot. Bonds4

About (3S)-3-acetamido-N-[2-(3-chlorophenyl)ethyl]pyrrolidine-1-carboxamide

(3S)-3-acetamido-N-[2-(3-chlorophenyl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 126422746) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is (3S)-3-acetamido-N-[2-(3-chlorophenyl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-acetamido-N-[2-(3-chlorophenyl)ethyl]pyrrolidine-1-carboxamide
PubChem CID126422746
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name(3S)-3-acetamido-N-[2-(3-chlorophenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCC(=O)N[C@H]1CCN(C(=O)NCCc2cccc(Cl)c2)C1
InChIInChI=1S/C15H20ClN3O2/c1-11(20)18-14-6-8-19(10-14)15(21)17-7-5-12-3-2-4-13(16)9-12/h2-4,9,14H,5-8,10H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1
InChIKeyTVAKZCYNLQKOSS-AWEZNQCLSA-N
XLogP1.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Chlorobenzyl)imidazolidin-2-one
CID 3235606
N-[2-(4-chlorophenyl)ethyl]-N'-isopropylethanediamide
CID 2290457
(2S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide
CID 2117006
(2S,3S)-2-(carbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylpentanamide
CID 7905842
1-((2R)-2-aminobutanoyl)-N-(3-chlorobenzyl)-L-prolinamide
CID 25113126
(3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethylpyrrolidine-1-carboxamide
CID 23647089
(3R,4S)-3-amino-4-(2,4-dichlorophenyl)-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 23647091
m-Chlorobenzylamide, 1
CID 44237080
2-[3-(2-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-cycloheptylacetamide
CID 3240085
2-[3-[(4-chlorophenyl)methyl]-2-oxo-1-imidazolidinyl]-N-(4-phenylbutan-2-yl)acetamide
CID 9550157
3-amino-4-(2,4-dichlorophenyl)-N-ethylpyrrolidine-1-carboxamide
CID 44440629
3-amino-4-(2,4-dichlorophenyl)-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 44440630

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamido-N-[2-(3-chlorophenyl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-acetamido-N-[2-(3-chlorophenyl)ethyl]pyrrolidine-1-carboxamide (CID 126422746) is (3S)-3-acetamido-N-[2-(3-chlorophenyl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-acetamido-N-[2-(3-chlorophenyl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-acetamido-N-[2-(3-chlorophenyl)ethyl]pyrrolidine-1-carboxamide is CC(=O)N[C@H]1CCN(C(=O)NCCc2cccc(Cl)c2)C1.
What is the InChIKey of (3S)-3-acetamido-N-[2-(3-chlorophenyl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is TVAKZCYNLQKOSS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-11(20)18-14-6-8-19(10-14)15(21)17-7-5-12-3-2-4-13(16)9-12/h2-4,9,14H,5-8,10H2,1H3,(H,17,21)(H,18,20)/t14-/m0/s1.
What are the key properties of (3S)-3-acetamido-N-[2-(3-chlorophenyl)ethyl]pyrrolidine-1-carboxamide?
(3S)-3-acetamido-N-[2-(3-chlorophenyl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamido-N-[2-(3-chlorophenyl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 126422746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).