(2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide

C14H16Cl2N2O2 — CID 67458133

IUPAC(2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@H]1C(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O2/c1-2-18-12(5-6-13(18)19)14(20)17-8-9-3-4-10(15)11(16)7-9/h3-4,7,12H,2,5-6,8H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyUHDRUGJZRMKMQV-LBPRGKRZSA-N
MW315.20 g/mol
LogP2.62
Rot. Bonds4

About (2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide

(2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 67458133) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is (2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
PubChem CID67458133
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name(2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
SMILESCCN1C(=O)CC[C@H]1C(=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O2/c1-2-18-12(5-6-13(18)19)14(20)17-8-9-3-4-10(15)11(16)7-9/h3-4,7,12H,2,5-6,8H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyUHDRUGJZRMKMQV-LBPRGKRZSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 42642595
N-[(4-chloro-2-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 42642598
N-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
CID 25015842
(2R)-N-[(2-chloro-3,4-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 71459843
(2S)-N-[(2-chloro-3,4-difluorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 67462741
N-[(3,4-diethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 139023926
1-ethyl-N-[(2-fluoro-3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 143816480
2-methoxy-5-[[[(2S)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125153610
(2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide
CID 15682110
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
N-[(3-bromophenyl)methyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 139023921
(2R,3R)-N-benzyl-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxamide
CID 110086831

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide (CID 67458133) is (2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide is CCN1C(=O)CC[C@H]1C(=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UHDRUGJZRMKMQV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-2-18-12(5-6-13(18)19)14(20)17-8-9-3-4-10(15)11(16)7-9/h3-4,7,12H,2,5-6,8H2,1H3,(H,17,20)/t12-/m0/s1.
What are the key properties of (2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 315.20 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3,4-dichlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 67458133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).