3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide

C24H25ClN2O3 — CID 47068322

IUPAC3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCCOc1c(Cl)cc(C(=O)N(Cc2cccnc2)Cc2ccccc2C)cc1OC
InChIInChI=1S/C24H25ClN2O3/c1-4-30-23-21(25)12-20(13-22(23)29-3)24(28)27(15-18-9-7-11-26-14-18)16-19-10-6-5-8-17(19)2/h5-14H,4,15-16H2,1-3H3
InChIKeyWKLDTQJFSJKJHX-UHFFFAOYSA-N
MW424.93 g/mol
LogP5.29
Rot. Bonds8

About 3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide

3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 47068322) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID47068322
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC Name3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
SMILESCCOc1c(Cl)cc(C(=O)N(Cc2cccnc2)Cc2ccccc2C)cc1OC
InChIInChI=1S/C24H25ClN2O3/c1-4-30-23-21(25)12-20(13-22(23)29-3)24(28)27(15-18-9-7-11-26-14-18)16-19-10-6-5-8-17(19)2/h5-14H,4,15-16H2,1-3H3
InChIKeyWKLDTQJFSJKJHX-UHFFFAOYSA-N
XLogP5.29
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.93
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-cyanoethyl)-4-ethoxy-5-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 78805528
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792706
3-(diethylsulfamoyl)-4-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55983352
(E)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 52725212
3-chloro-N-(2-cyanoethyl)-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 60519812
N-(3-aminopropyl)-N-benzyl-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 120649981
3-bromo-N-(2-cyanoethyl)-4-ethoxy-5-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 99148421
3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 112790252
3-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 75910588
3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
CID 16770015
3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide
CID 25343284
3-(diethylsulfamoyl)-4-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55983350

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide (CID 47068322) is 3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide is CCOc1c(Cl)cc(C(=O)N(Cc2cccnc2)Cc2ccccc2C)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is WKLDTQJFSJKJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-4-30-23-21(25)12-20(13-22(23)29-3)24(28)27(15-18-9-7-11-26-14-18)16-19-10-6-5-8-17(19)2/h5-14H,4,15-16H2,1-3H3.
What are the key properties of 3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide?
3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 424.93 g/mol, XLogP of 5.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-5-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 47068322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).