(3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

C19H19ClN2O3 — CID 52578120

IUPAC(3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1=O
InChIInChI=1S/C19H19ClN2O3/c1-2-22-12-13(11-18(22)23)19(24)21-14-7-9-15(10-8-14)25-17-6-4-3-5-16(17)20/h3-10,13H,2,11-12H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyJHOZRIJYMHDMTO-CYBMUJFWSA-N
MW358.83 g/mol
LogP3.94
Rot. Bonds5

About (3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 52578120) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is (3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID52578120
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name(3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1=O
InChIInChI=1S/C19H19ClN2O3/c1-2-22-12-13(11-18(22)23)19(24)21-14-7-9-15(10-8-14)25-17-6-4-3-5-16(17)20/h3-10,13H,2,11-12H2,1H3,(H,21,24)/t13-/m1/s1
InChIKeyJHOZRIJYMHDMTO-CYBMUJFWSA-N
XLogP3.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-chlorophenoxy)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 131906342
(3R)-1-ethyl-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 94183042
(3S)-1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8745664
N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78756753
(3R)-N-(4-acetamidophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8701516
(3S)-N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 52577868
N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 24529866
(3R)-1-benzyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40606403
(3S)-N-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93018180
2-[4-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]phenyl]acetic acid
CID 43358506
(3S)-1-benzyl-N-(4-butoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523040
(3S)-1-ethyl-5-oxo-N-(2-phenylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 94092655

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 52578120) is (3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1C[C@H](C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)CC1=O.
What is the InChIKey of (3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JHOZRIJYMHDMTO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-2-22-12-13(11-18(22)23)19(24)21-14-7-9-15(10-8-14)25-17-6-4-3-5-16(17)20/h3-10,13H,2,11-12H2,1H3,(H,21,24)/t13-/m1/s1.
What are the key properties of (3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(2-chlorophenoxy)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 52578120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).