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

C21H23ClN2O2 — CID 5144579

IUPACN-[(2-chlorophenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CCN2CC(C(=O)NCc3ccccc3Cl)CC2=O)cc1
InChIInChI=1S/C21H23ClN2O2/c1-15-6-8-16(9-7-15)10-11-24-14-18(12-20(24)25)21(26)23-13-17-4-2-3-5-19(17)22/h2-9,18H,10-14H2,1H3,(H,23,26)
InChIKeySBHXZIQHOSWANL-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.36
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 5144579) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID5144579
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-[(2-chlorophenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CCN2CC(C(=O)NCc3ccccc3Cl)CC2=O)cc1
InChIInChI=1S/C21H23ClN2O2/c1-15-6-8-16(9-7-15)10-11-24-14-18(12-20(24)25)21(26)23-13-17-4-2-3-5-19(17)22/h2-9,18H,10-14H2,1H3,(H,23,26)
InChIKeySBHXZIQHOSWANL-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[2-(4-fluorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9374070
1-benzyl-N-[(2-chloro-4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 143820682
(3S)-N-(2-chloro-4-methylphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 7926641
N-[(2-chloro-4-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 143820684
N-[(2-chlorophenyl)methyl]-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183420
(3R)-N-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9374483
1-[2-(4-chlorophenyl)ethyl]-N-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185041
(3S)-N-[(2-chlorophenyl)methyl]-N-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 30247534
1-[2-(4-chlorophenyl)ethyl]-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 113185012
N-[1-(4-methylphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 55577189
1-[2-(2-fluorophenyl)ethyl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113184212
1-[2-(4-methylphenyl)ethyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 4047575

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 5144579) is N-[(2-chlorophenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CCN2CC(C(=O)NCc3ccccc3Cl)CC2=O)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SBHXZIQHOSWANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-15-6-8-16(9-7-15)10-11-24-14-18(12-20(24)25)21(26)23-13-17-4-2-3-5-19(17)22/h2-9,18H,10-14H2,1H3,(H,23,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 5144579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).