N-(3-chloro-4-fluorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide

C19H22ClFN2O3 — CID 2367387

IUPACN-(3-chloro-4-fluorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
SMILESCOc1ccc(CCN(C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1OC
InChIInChI=1S/C19H22ClFN2O3/c1-23(9-8-13-4-7-17(25-2)18(10-13)26-3)12-19(24)22-14-5-6-16(21)15(20)11-14/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,24)
InChIKeyOITVILBFGLSNCH-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.61
Rot. Bonds8

About N-(3-chloro-4-fluorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide (PubChem CID 2367387) has the molecular formula C19H22ClFN2O3 and a molecular weight of 380.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
PubChem CID2367387
Molecular FormulaC19H22ClFN2O3
Molecular Weight380.85 g/mol
Exact Mass380.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
SMILESCOc1ccc(CCN(C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1OC
InChIInChI=1S/C19H22ClFN2O3/c1-23(9-8-13-4-7-17(25-2)18(10-13)26-3)12-19(24)22-14-5-6-16(21)15(20)11-14/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,24)
InChIKeyOITVILBFGLSNCH-UHFFFAOYSA-N
XLogP3.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-fluorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide 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

2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)amino)-N-(4-fluorophenyl)acetamide (34a)
CID 86766181
N-(3-Chloro-4-fluorophenyl)-2-((2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl) ethyl)amino)acetamide (34c)
CID 86766183
2-((2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl) amino)-N-(4-fluorophenyl)acetamide (35a)
CID 86766188
N-(3-Chloro-4-fluorophenyl)-2-((2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)amino)acetamide (35c)
CID 86766190
Mefeclorazine
CID 3064105
1-(4-Chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 727786
N-(4-Chlorophenyl)-2-((2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)amino) acetamide (34b)
CID 86766182
N-(4-Chlorophenyl)-2-((2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl) amino)acetamide (35b)
CID 86766189
N-(3-chloro-4-fluorophenyl)-N'-(3,4-dimethoxybenzyl)thiourea
CID 1297290
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-fluorophenyl)acetamide
CID 4902156
N-(2,4-difluorophenyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4908338
N-(3-chlorophenyl)-2-[3-(3,4-dimethoxybenzyl)-1-ethyl-5-oxo-2-thioxoimidazolidin-4-yl]acetamide
CID 2936210

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide (CID 2367387) is N-(3-chloro-4-fluorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide is COc1ccc(CCN(C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1OC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide?
The InChIKey is OITVILBFGLSNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O3/c1-23(9-8-13-4-7-17(25-2)18(10-13)26-3)12-19(24)22-14-5-6-16(21)15(20)11-14/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide has a molecular weight of 380.85 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide is sourced from PubChem (CID 2367387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).