3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide

C22H20Cl2N2O2 — CID 42695992

IUPAC3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCOc1ccccc1CN(CCc1ccccn1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H20Cl2N2O2/c1-28-21-8-3-2-6-17(21)15-26(13-11-18-7-4-5-12-25-18)22(27)16-9-10-19(23)20(24)14-16/h2-10,12,14H,11,13,15H2,1H3
InChIKeyWPWZBAPWUKFXEU-UHFFFAOYSA-N
MW415.32 g/mol
LogP5.28
Rot. Bonds7

About 3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide

3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 42695992) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID42695992
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCOc1ccccc1CN(CCc1ccccn1)C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H20Cl2N2O2/c1-28-21-8-3-2-6-17(21)15-26(13-11-18-7-4-5-12-25-18)22(27)16-9-10-19(23)20(24)14-16/h2-10,12,14H,11,13,15H2,1H3
InChIKeyWPWZBAPWUKFXEU-UHFFFAOYSA-N
XLogP5.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 42696840
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 42701819
3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354
N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 110907491
3-chloro-N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 42696833
1-(3-chloro-4-methoxyphenyl)-2-(2-pyridin-2-ylethoxy)ethanone
CID 62029294
N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide
CID 1057393
(Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide
CID 98289260
4-methoxy-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 43247155
3-(dimethylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 47078427
4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 58791114

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide (CID 42695992) is 3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide is COc1ccccc1CN(CCc1ccccn1)C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is WPWZBAPWUKFXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c1-28-21-8-3-2-6-17(21)15-26(13-11-18-7-4-5-12-25-18)22(27)16-9-10-19(23)20(24)14-16/h2-10,12,14H,11,13,15H2,1H3.
What are the key properties of 3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide?
3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 415.32 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(2-methoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 42695992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).