4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide

C22H21ClN2O4 — CID 59673505

IUPAC4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3ncccc3Cl)c(OC)c2)cc1OC
InChIInChI=1S/C22H21ClN2O4/c1-27-18-9-6-14(11-20(18)29-3)13-25-22(26)15-7-8-16(19(12-15)28-2)21-17(23)5-4-10-24-21/h4-12H,13H2,1-3H3,(H,25,26)
InChIKeyQMBOLLOVKNKDMY-UHFFFAOYSA-N
MW412.87 g/mol
LogP4.36
Rot. Bonds7

About 4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide

4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide (PubChem CID 59673505) has the molecular formula C22H21ClN2O4 and a molecular weight of 412.87 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
PubChem CID59673505
Molecular FormulaC22H21ClN2O4
Molecular Weight412.87 g/mol
Exact Mass412.12
IUPAC Name4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3ncccc3Cl)c(OC)c2)cc1OC
InChIInChI=1S/C22H21ClN2O4/c1-27-18-9-6-14(11-20(18)29-3)13-25-22(26)15-7-8-16(19(12-15)28-2)21-17(23)5-4-10-24-21/h4-12H,13H2,1-3H3,(H,25,26)
InChIKeyQMBOLLOVKNKDMY-UHFFFAOYSA-N
XLogP4.36
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.87
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-2-pyridinyl)-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 59672637
4-(3-chloro-2-pyridinyl)-N-[(3,4-dichlorophenyl)methyl]-3-fluorobenzamide
CID 59672600
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
6-(2-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109159947
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393870
3,4-dimethoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzamide
CID 121166121
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 46920479
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide (CID 59673505) is 4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide is COc1ccc(CNC(=O)c2ccc(-c3ncccc3Cl)c(OC)c2)cc1OC.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide?
The InChIKey is QMBOLLOVKNKDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4/c1-27-18-9-6-14(11-20(18)29-3)13-25-22(26)15-7-8-16(19(12-15)28-2)21-17(23)5-4-10-24-21/h4-12H,13H2,1-3H3,(H,25,26).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide?
4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide has a molecular weight of 412.87 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 59673505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).