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

C19H18Cl2N2O2 — CID 113183254

IUPACN-(2,4-dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1CN1CC(C(=O)Nc2ccc(Cl)cc2Cl)CC1=O
InChIInChI=1S/C19H18Cl2N2O2/c1-12-4-2-3-5-13(12)10-23-11-14(8-18(23)24)19(25)22-17-7-6-15(20)9-16(17)21/h2-7,9,14H,8,10-11H2,1H3,(H,22,25)
InChIKeyDRLHCWLBVAUKRQ-UHFFFAOYSA-N
MW377.27 g/mol
LogP4.29
Rot. Bonds4

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

N-(2,4-dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113183254) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113183254
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC NameN-(2,4-dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1CN1CC(C(=O)Nc2ccc(Cl)cc2Cl)CC1=O
InChIInChI=1S/C19H18Cl2N2O2/c1-12-4-2-3-5-13(12)10-23-11-14(8-18(23)24)19(25)22-17-7-6-15(20)9-16(17)21/h2-7,9,14H,8,10-11H2,1H3,(H,22,25)
InChIKeyDRLHCWLBVAUKRQ-UHFFFAOYSA-N
XLogP4.29
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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(5-chloro-2-methylphenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 8502335
(3R)-N-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9097492
(3R)-1-[(2-chlorophenyl)methyl]-N-(4-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8865073
N-(2,4-dichlorophenyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 75808688
1-[(2-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78758974
(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502392
(3S)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502393
methyl 2-[[1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113183235
1-butyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082586
(3R)-1-[(2-chlorophenyl)methyl]-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8761573
N-(4-bromophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183219
(3R)-N-(2,4-dichlorophenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1332768

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 113183254) is N-(2,4-dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccccc1CN1CC(C(=O)Nc2ccc(Cl)cc2Cl)CC1=O.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DRLHCWLBVAUKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-12-4-2-3-5-13(12)10-23-11-14(8-18(23)24)19(25)22-17-7-6-15(20)9-16(17)21/h2-7,9,14H,8,10-11H2,1H3,(H,22,25).
What are the key properties of N-(2,4-dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-(2,4-dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 377.27 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113183254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).