N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide

C21H28ClN3O3 — CID 55897928

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide
SMILESCCN(CC)Cc1ccccc1NCC(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C21H28ClN3O3/c1-5-25(6-2)14-15-9-7-8-10-17(15)23-13-21(26)24-18-12-19(27-3)16(22)11-20(18)28-4/h7-12,23H,5-6,13-14H2,1-4H3,(H,24,26)
InChIKeyKGTUPYVEPIHYJC-UHFFFAOYSA-N
MW405.93 g/mol
LogP4.25
Rot. Bonds10

About N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide (PubChem CID 55897928) has the molecular formula C21H28ClN3O3 and a molecular weight of 405.93 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide
PubChem CID55897928
Molecular FormulaC21H28ClN3O3
Molecular Weight405.93 g/mol
Exact Mass405.18
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide
SMILESCCN(CC)Cc1ccccc1NCC(=O)Nc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C21H28ClN3O3/c1-5-25(6-2)14-15-9-7-8-10-17(15)23-13-21(26)24-18-12-19(27-3)16(22)11-20(18)28-4/h7-12,23H,5-6,13-14H2,1-4H3,(H,24,26)
InChIKeyKGTUPYVEPIHYJC-UHFFFAOYSA-N
XLogP4.25
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethylanilino)propanamide
CID 109036248
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide
CID 109011243
2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide
CID 55898056
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482
methyl 4-[[2-[2-(diethylaminomethyl)anilino]acetyl]amino]benzoate
CID 60536782
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 113161536
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 4885055
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dichloroanilino)acetamide
CID 42026344
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]acetamide
CID 24565573

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide (CID 55897928) is N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide is CCN(CC)Cc1ccccc1NCC(=O)Nc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide?
The InChIKey is KGTUPYVEPIHYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O3/c1-5-25(6-2)14-15-9-7-8-10-17(15)23-13-21(26)24-18-12-19(27-3)16(22)11-20(18)28-4/h7-12,23H,5-6,13-14H2,1-4H3,(H,24,26).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide has a molecular weight of 405.93 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-[2-(diethylaminomethyl)anilino]acetamide is sourced from PubChem (CID 55897928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).