N-[(2-chloro-4-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

C15H19ClN2O2 — CID 143820684

IUPACN-[(2-chloro-4-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCc2ccc(C)cc2Cl)CC1=O
InChIInChI=1S/C15H19ClN2O2/c1-3-18-9-12(7-14(18)19)15(20)17-8-11-5-4-10(2)6-13(11)16/h4-6,12H,3,7-9H2,1-2H3,(H,17,20)
InChIKeyNQDPFECGRVKADR-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.13
Rot. Bonds4

About N-[(2-chloro-4-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

N-[(2-chloro-4-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 143820684) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID143820684
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCc2ccc(C)cc2Cl)CC1=O
InChIInChI=1S/C15H19ClN2O2/c1-3-18-9-12(7-14(18)19)15(20)17-8-11-5-4-10(2)6-13(11)16/h4-6,12H,3,7-9H2,1-2H3,(H,17,20)
InChIKeyNQDPFECGRVKADR-UHFFFAOYSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-[(2-chloro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 143820682
1-[(2-chloro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 106864502
N-[(2-chlorophenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 5144579
N-[(2-chloro-4-fluorophenyl)methyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 72939363
4-chloro-1-[(2-chloro-4-methylphenyl)methyl]pyrrolidin-2-one
CID 168688256
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
1-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182019
(3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 97123545
N-[(2-chlorophenyl)methyl]-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183420
1-[2-(2,4-dichlorophenyl)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 113185877
1-[(2-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78758974
(3R)-1-ethyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39568663

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 143820684) is N-[(2-chloro-4-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)NCc2ccc(C)cc2Cl)CC1=O.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NQDPFECGRVKADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-18-9-12(7-14(18)19)15(20)17-8-11-5-4-10(2)6-13(11)16/h4-6,12H,3,7-9H2,1-2H3,(H,17,20).
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
N-[(2-chloro-4-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 294.78 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 143820684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).