4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

C24H23ClN2O3 — CID 9482810

IUPAC4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3ccc(Cl)c(N4CCCC4=O)c3)ccc2c1
InChIInChI=1S/C24H23ClN2O3/c1-26(15-16-5-6-18-13-20(30-2)9-7-17(18)12-16)24(29)19-8-10-21(25)22(14-19)27-11-3-4-23(27)28/h5-10,12-14H,3-4,11,15H2,1-2H3
InChIKeyQJARHKCROFMTMQ-UHFFFAOYSA-N
MW422.91 g/mol
LogP4.90
Rot. Bonds5

About 4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9482810) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9482810
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc2cc(CN(C)C(=O)c3ccc(Cl)c(N4CCCC4=O)c3)ccc2c1
InChIInChI=1S/C24H23ClN2O3/c1-26(15-16-5-6-18-13-20(30-2)9-7-17(18)12-16)24(29)19-8-10-21(25)22(14-19)27-11-3-4-23(27)28/h5-10,12-14H,3-4,11,15H2,1-2H3
InChIKeyQJARHKCROFMTMQ-UHFFFAOYSA-N
XLogP4.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 26444427
4-chloro-N-(4-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042234
4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18292701
4-chloro-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 17398985
1-[2-chloro-5-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 41307910
3-ethoxy-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 43012781
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27822823
N-[(3-chlorophenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27795184
4-(1,3-dithian-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 9482803
propan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 31864541
1-[2-chloro-5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 41111642
4-chloro-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9161330

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide (CID 9482810) is 4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide is COc1ccc2cc(CN(C)C(=O)c3ccc(Cl)c(N4CCCC4=O)c3)ccc2c1.
What is the InChIKey of 4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is QJARHKCROFMTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-26(15-16-5-6-18-13-20(30-2)9-7-17(18)12-16)24(29)19-8-10-21(25)22(14-19)27-11-3-4-23(27)28/h5-10,12-14H,3-4,11,15H2,1-2H3.
What are the key properties of 4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 422.91 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9482810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).