(2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide

C18H17ClN2O3 — CID 95765039

IUPAC(2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)N1
InChIInChI=1S/C18H17ClN2O3/c19-13-6-4-12(5-7-13)11-24-15-3-1-2-14(10-15)20-18(23)16-8-9-17(22)21-16/h1-7,10,16H,8-9,11H2,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyHJQUPYANPFCXPS-INIZCTEOSA-N
MW344.80 g/mol
LogP3.14
Rot. Bonds5

About (2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 95765039) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is (2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID95765039
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name(2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)N1
InChIInChI=1S/C18H17ClN2O3/c19-13-6-4-12(5-7-13)11-24-15-3-1-2-14(10-15)20-18(23)16-8-9-17(22)21-16/h1-7,10,16H,8-9,11H2,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyHJQUPYANPFCXPS-INIZCTEOSA-N
XLogP3.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[3-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95327018
(2S)-N-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95038599
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 103803780
(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 26469933
N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
CID 112830319
N-[5-[(3-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran-7-yl]-5-oxopyrrolidine-2-carboxamide
CID 166073968
N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119438155
ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110462157
4-amino-N-[3-[(4-chlorophenyl)methoxy]phenyl]pentanamide
CID 120562632
1-[3-[(4-chlorophenyl)methoxy]phenyl]-3-(3-hydroxypropyl)urea
CID 111117109

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide (CID 95765039) is (2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)N1.
What is the InChIKey of (2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is HJQUPYANPFCXPS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c19-13-6-4-12(5-7-13)11-24-15-3-1-2-14(10-15)20-18(23)16-8-9-17(22)21-16/h1-7,10,16H,8-9,11H2,(H,20,23)(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 95765039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).