1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide

C20H22ClN3O2 — CID 119438316

IUPAC1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide
SMILESCCNCc1cccc(NC(=O)C2CCN(c3cccc(Cl)c3)C2=O)c1
InChIInChI=1S/C20H22ClN3O2/c1-2-22-13-14-5-3-7-16(11-14)23-19(25)18-9-10-24(20(18)26)17-8-4-6-15(21)12-17/h3-8,11-12,18,22H,2,9-10,13H2,1H3,(H,23,25)
InChIKeyVXKJAVABBIZWCE-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.44
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide

1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 119438316) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID119438316
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide
SMILESCCNCc1cccc(NC(=O)C2CCN(c3cccc(Cl)c3)C2=O)c1
InChIInChI=1S/C20H22ClN3O2/c1-2-22-13-14-5-3-7-16(11-14)23-19(25)18-9-10-24(20(18)26)17-8-4-6-15(21)12-17/h3-8,11-12,18,22H,2,9-10,13H2,1H3,(H,23,25)
InChIKeyVXKJAVABBIZWCE-UHFFFAOYSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119439813
N-(2-chlorophenyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 46062412
3-[[(3R)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 125151475
1-(3-bromophenyl)-N-(4-ethylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 55826690
1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 4122939
N-(2-aminoethyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119383815
N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride
CID 119438632
N-(3-aminobutyl)-1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119497270
(3S)-1-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 93330917
(2S)-2-[[1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 120614725
1-(3-chlorophenyl)-N-[(3-methylfuran-2-yl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 136545228
1-(3-chlorophenyl)-N-(4-hydroxycyclohexyl)-2-oxopyrrolidine-3-carboxamide
CID 111462855

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide (CID 119438316) is 1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide is CCNCc1cccc(NC(=O)C2CCN(c3cccc(Cl)c3)C2=O)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is VXKJAVABBIZWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-2-22-13-14-5-3-7-16(11-14)23-19(25)18-9-10-24(20(18)26)17-8-4-6-15(21)12-17/h3-8,11-12,18,22H,2,9-10,13H2,1H3,(H,23,25).
What are the key properties of 1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide?
1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[3-(ethylaminomethyl)phenyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119438316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).