4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide

C22H22ClN3O2 — CID 11582018

IUPAC4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(-c3ccc(CN(C)C)cc3)c2)cn1
InChIInChI=1S/C22H22ClN3O2/c1-26(2)14-15-4-6-16(7-5-15)19-12-17(8-10-20(19)23)22(27)25-18-9-11-21(28-3)24-13-18/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyBTQBAAOFTZEKJZ-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.72
Rot. Bonds6

About 4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide

4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 11582018) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID11582018
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c(-c3ccc(CN(C)C)cc3)c2)cn1
InChIInChI=1S/C22H22ClN3O2/c1-26(2)14-15-4-6-16(7-5-15)19-12-17(8-10-20(19)23)22(27)25-18-9-11-21(28-3)24-13-18/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyBTQBAAOFTZEKJZ-UHFFFAOYSA-N
XLogP4.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-(6-methoxy-3-pyridinyl)-3-[4-[3-(methylsulfonylmethyl)phenyl]phenyl]benzamide;ethane
CID 143191284
4-chloro-N-(6-methoxy-3-pyridinyl)-3-(3-methylsulfonylphenyl)benzamide
CID 91556958
4-chloro-N-(2-methoxypyrimidin-5-yl)-3-(4-phenylphenyl)benzamide
CID 11546154
3-[(dimethylamino)methyl]-N-[6-(2-methoxyphenoxy)-3-pyridinyl]benzamide
CID 131946490
3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 82776170
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
N-[4-(2-hydroxyethyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 61221260
N-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17466734
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
3-bromo-4-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 107999600
4-chloro-N-(6-methoxy-3-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
CID 7478552
4-bromo-3-fluoro-N-(6-methoxy-3-pyridinyl)benzamide
CID 47421902

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide (CID 11582018) is 4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2ccc(Cl)c(-c3ccc(CN(C)C)cc3)c2)cn1.
What is the InChIKey of 4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is BTQBAAOFTZEKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-26(2)14-15-4-6-16(7-5-15)19-12-17(8-10-20(19)23)22(27)25-18-9-11-21(28-3)24-13-18/h4-13H,14H2,1-3H3,(H,25,27).
What are the key properties of 4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide?
4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 395.89 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[4-[(dimethylamino)methyl]phenyl]-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 11582018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).