4,5-dichloro-N-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-methylbenzamide

C23H28Cl2N2O3 — CID 142949454

IUPAC4,5-dichloro-N-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C)cc1OCCN1CCC(C)CC1
InChIInChI=1S/C23H28Cl2N2O3/c1-15-6-8-27(9-7-15)10-11-30-22-13-17(4-5-21(22)29-3)26-23(28)18-14-20(25)19(24)12-16(18)2/h4-5,12-15H,6-11H2,1-3H3,(H,26,28)
InChIKeyUWWVGUYWSGZQBA-UHFFFAOYSA-N
MW451.39 g/mol
LogP5.67
Rot. Bonds7

About 4,5-dichloro-N-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-methylbenzamide

4,5-dichloro-N-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-methylbenzamide (PubChem CID 142949454) has the molecular formula C23H28Cl2N2O3 and a molecular weight of 451.39 g/mol. Its IUPAC name is 4,5-dichloro-N-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name4,5-dichloro-N-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-methylbenzamide
PubChem CID142949454
Molecular FormulaC23H28Cl2N2O3
Molecular Weight451.39 g/mol
Exact Mass450.15
IUPAC Name4,5-dichloro-N-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C)cc1OCCN1CCC(C)CC1
InChIInChI=1S/C23H28Cl2N2O3/c1-15-6-8-27(9-7-15)10-11-30-22-13-17(4-5-21(22)29-3)26-23(28)18-14-20(25)19(24)12-16(18)2/h4-5,12-15H,6-11H2,1-3H3,(H,26,28)
InChIKeyUWWVGUYWSGZQBA-UHFFFAOYSA-N
XLogP5.67
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.39
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-nitrobenzamide
CID 58980869
1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82052845
2-bromo-N-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 141047368
1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
CID 2364331
N-(3,4-dichlorophenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100714297
1-(3,4-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)butyl]guanidine
CID 111059687
1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82052898
4-(3,4-dichlorophenyl)-1-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2H-pyrrol-5-one
CID 11225281
6,7-dichloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol
CID 91409732
5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol
CID 91040837
1-(3-chloro-4-fluorophenyl)-N-[3-fluoro-4-[6-methoxy-7-[3-(4-methylpiperidin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 155679248
N-(3,4-dimethoxyphenyl)-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108942812

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-methylbenzamide?
The IUPAC name of 4,5-dichloro-N-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-methylbenzamide (CID 142949454) is 4,5-dichloro-N-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-methylbenzamide.
What is the SMILES notation for 4,5-dichloro-N-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-methylbenzamide?
The canonical SMILES for 4,5-dichloro-N-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-methylbenzamide is COc1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C)cc1OCCN1CCC(C)CC1.
What is the InChIKey of 4,5-dichloro-N-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-methylbenzamide?
The InChIKey is UWWVGUYWSGZQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O3/c1-15-6-8-27(9-7-15)10-11-30-22-13-17(4-5-21(22)29-3)26-23(28)18-14-20(25)19(24)12-16(18)2/h4-5,12-15H,6-11H2,1-3H3,(H,26,28).
What are the key properties of 4,5-dichloro-N-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-methylbenzamide?
4,5-dichloro-N-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-methylbenzamide has a molecular weight of 451.39 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-methylbenzamide is sourced from PubChem (CID 142949454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).