(2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide

C14H19ClN2O2 — CID 93370536

IUPAC(2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C14H19ClN2O2/c1-2-17(9-10-5-3-4-6-12(10)15)14(19)13-7-11(18)8-16-13/h3-6,11,13,16,18H,2,7-9H2,1H3/t11-,13-/m0/s1
InChIKeyAHFSARJUDKKQTB-AAEUAGOBSA-N
MW282.77 g/mol
LogP1.41
Rot. Bonds4

About (2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide

(2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 93370536) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
PubChem CID93370536
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C14H19ClN2O2/c1-2-17(9-10-5-3-4-6-12(10)15)14(19)13-7-11(18)8-16-13/h3-6,11,13,16,18H,2,7-9H2,1H3/t11-,13-/m0/s1
InChIKeyAHFSARJUDKKQTB-AAEUAGOBSA-N
XLogP1.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 93370537
N-[(2-chlorophenyl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 54869026
(2S)-N,N-dibenzyl-4-hydroxypyrrolidine-2-carboxamide
CID 59336257
(2S,4S)-N-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28944036
(2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide
CID 120924212
(2S,4R)-N-[2-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125153528
4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide
CID 55683370
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 43588844
(2R,4S)-4-hydroxy-N,N-dipropylpyrrolidine-2-carboxamide;hydrochloride
CID 120552956
N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide
CID 78852823
N-[(2-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514772
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide (CID 93370536) is (2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide is CCN(Cc1ccccc1Cl)C(=O)[C@@H]1C[C@H](O)CN1.
What is the InChIKey of (2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is AHFSARJUDKKQTB-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-2-17(9-10-5-3-4-6-12(10)15)14(19)13-7-11(18)8-16-13/h3-6,11,13,16,18H,2,7-9H2,1H3/t11-,13-/m0/s1.
What are the key properties of (2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide?
(2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 93370536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).