2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide

C21H22Cl3N3O3 — CID 138632668

IUPAC2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide
SMILESC=C(CCNC(=O)COc1ccc(Cl)c(Cl)c1)NC(=O)CN(C)c1ccc(Cl)cc1
InChIInChI=1S/C21H22Cl3N3O3/c1-14(26-20(28)12-27(2)16-5-3-15(22)4-6-16)9-10-25-21(29)13-30-17-7-8-18(23)19(24)11-17/h3-8,11H,1,9-10,12-13H2,2H3,(H,25,29)(H,26,28)
InChIKeyFHPNEVOSPNMWRL-UHFFFAOYSA-N
MW470.78 g/mol
LogP4.30
Rot. Bonds10

About 2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide

2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide (PubChem CID 138632668) has the molecular formula C21H22Cl3N3O3 and a molecular weight of 470.78 g/mol. Its IUPAC name is 2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide
PubChem CID138632668
Molecular FormulaC21H22Cl3N3O3
Molecular Weight470.78 g/mol
Exact Mass469.07
IUPAC Name2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide
SMILESC=C(CCNC(=O)COc1ccc(Cl)c(Cl)c1)NC(=O)CN(C)c1ccc(Cl)cc1
InChIInChI=1S/C21H22Cl3N3O3/c1-14(26-20(28)12-27(2)16-5-3-15(22)4-6-16)9-10-25-21(29)13-30-17-7-8-18(23)19(24)11-17/h3-8,11H,1,9-10,12-13H2,2H3,(H,25,29)(H,26,28)
InChIKeyFHPNEVOSPNMWRL-UHFFFAOYSA-N
XLogP4.30
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.78
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide with MolForge

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Related Compounds

4-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-fluorobenzamide
CID 155264716
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-2-methyl-1,3-oxazole-5-carboxamide
CID 155265150
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-5-ethylpyridine-2-carboxamide
CID 155264541
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-3-enyl]-4-(2-hydroxyethyl)pyridine-2-carboxamide
CID 155264607
N-[(2S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-hydroxybutyl]-2-(4-chloro-N-methylanilino)acetamide
CID 155303138
N-[3-[[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)oxy]acetyl]amino]but-3-enyl]-2-(3,4-difluorophenoxy)acetamide
CID 138632388
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-2-phenylacetamide
CID 138632411
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-4-methylpyridine-2-carboxamide
CID 170000150
(E)-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 138632707
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-3-enyl]-2-(dimethylamino)benzamide
CID 155264645
N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
CID 119382882
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]but-1-en-2-yl]-4-methoxypyridine-2-carboxamide
CID 155264549

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide?
The IUPAC name of 2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide (CID 138632668) is 2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide?
The canonical SMILES for 2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide is C=C(CCNC(=O)COc1ccc(Cl)c(Cl)c1)NC(=O)CN(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide?
The InChIKey is FHPNEVOSPNMWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl3N3O3/c1-14(26-20(28)12-27(2)16-5-3-15(22)4-6-16)9-10-25-21(29)13-30-17-7-8-18(23)19(24)11-17/h3-8,11H,1,9-10,12-13H2,2H3,(H,25,29)(H,26,28).
What are the key properties of 2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide?
2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide has a molecular weight of 470.78 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylanilino)-N-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]but-1-en-2-yl]acetamide is sourced from PubChem (CID 138632668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).