N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide

C20H23ClFN3O3 — CID 9222317

IUPACN-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C20H23ClFN3O3/c1-24(12-19(26)23-17-10-15(21)7-8-18(17)28-3)13-20(27)25(2)11-14-5-4-6-16(22)9-14/h4-10H,11-13H2,1-3H3,(H,23,26)
InChIKeyHXNYMNIRICLQIG-UHFFFAOYSA-N
MW407.87 g/mol
LogP3.02
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 9222317) has the molecular formula C20H23ClFN3O3 and a molecular weight of 407.87 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
PubChem CID9222317
Molecular FormulaC20H23ClFN3O3
Molecular Weight407.87 g/mol
Exact Mass407.14
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C20H23ClFN3O3/c1-24(12-19(26)23-17-10-15(21)7-8-18(17)28-3)13-20(27)25(2)11-14-5-4-6-16(22)9-14/h4-10H,11-13H2,1-3H3,(H,23,26)
InChIKeyHXNYMNIRICLQIG-UHFFFAOYSA-N
XLogP3.02
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.87
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-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

N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 9222315
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylazanium
CID 9222316
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 2699433
N-(5-chloro-2-fluorophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 9432683
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)acetamide
CID 9251272
N-(5-chloro-2-methoxyphenyl)-2-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222409
2-[[2-[benzyl(ethyl)amino]acetyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 8563570
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9222402
N-(2-chlorophenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 25479489
2-[[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 8794021
N-tert-butyl-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 8767568

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide (CID 9222317) is N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is HXNYMNIRICLQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O3/c1-24(12-19(26)23-17-10-15(21)7-8-18(17)28-3)13-20(27)25(2)11-14-5-4-6-16(22)9-14/h4-10H,11-13H2,1-3H3,(H,23,26).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 407.87 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 9222317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).