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

C19H18Cl2N2O2 — CID 113187486

IUPAC1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1c(Cl)cccc1N1CC(C(=O)NCc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C19H18Cl2N2O2/c1-12-16(21)3-2-4-17(12)23-11-14(9-18(23)24)19(25)22-10-13-5-7-15(20)8-6-13/h2-8,14H,9-11H2,1H3,(H,22,25)
InChIKeyLQRXFBLADZRCCJ-UHFFFAOYSA-N
MW377.27 g/mol
LogP3.97
Rot. Bonds4

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

1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113187486) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113187486
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1c(Cl)cccc1N1CC(C(=O)NCc2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C19H18Cl2N2O2/c1-12-16(21)3-2-4-17(12)23-11-14(9-18(23)24)19(25)22-10-13-5-7-15(20)8-6-13/h2-8,14H,9-11H2,1H3,(H,22,25)
InChIKeyLQRXFBLADZRCCJ-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(4-chlorophenyl)methyl]-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 124730320
N-[(4-chlorophenyl)methyl]-5-oxo-1-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113186544
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
(3R)-N'-(4-chlorobenzoyl)-1-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9056246
1-(2,3-dichlorophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191341
1-(3-chloro-2-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113187491
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
(3R)-N-[(4-chlorophenyl)methyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393635
1-(5-chloro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187572
1-(4-chloro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187685
N-[(4-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55334367
1-(2,6-dichlorophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191238

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 113187486) is 1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1c(Cl)cccc1N1CC(C(=O)NCc2ccc(Cl)cc2)CC1=O.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LQRXFBLADZRCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-12-16(21)3-2-4-17(12)23-11-14(9-18(23)24)19(25)22-10-13-5-7-15(20)8-6-13/h2-8,14H,9-11H2,1H3,(H,22,25).
What are the key properties of 1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 377.27 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113187486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).