2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide

C19H19Cl2F2N3O2 — CID 4968627

IUPAC2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2F2N3O2/c1-2-7-26(10-18(27)24-13-4-5-15(22)16(23)9-13)11-19(28)25-17-6-3-12(20)8-14(17)21/h3-6,8-9H,2,7,10-11H2,1H3,(H,24,27)(H,25,28)
InChIKeyVMTJIMAROLDZPN-UHFFFAOYSA-N
MW430.28 g/mol
LogP4.56
Rot. Bonds8

About 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide

2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 4968627) has the molecular formula C19H19Cl2F2N3O2 and a molecular weight of 430.28 g/mol. Its IUPAC name is 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide
PubChem CID4968627
Molecular FormulaC19H19Cl2F2N3O2
Molecular Weight430.28 g/mol
Exact Mass429.08
IUPAC Name2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H19Cl2F2N3O2/c1-2-7-26(10-18(27)24-13-4-5-15(22)16(23)9-13)11-19(28)25-17-6-3-12(20)8-14(17)21/h3-6,8-9H,2,7,10-11H2,1H3,(H,24,27)(H,25,28)
InChIKeyVMTJIMAROLDZPN-UHFFFAOYSA-N
XLogP4.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.28
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246695
2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246768
2-(dibutylamino)-N-(2,4-dichlorophenyl)acetamide
CID 18870877
4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid
CID 119134576
N-(2,4-dichlorophenyl)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-propylamino]acetamide
CID 27246590
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 2658488
N-(2,4-dichlorophenyl)-2-[[2-(N-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 26599527
N-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide
CID 55354113
N-(2,4-dichlorophenyl)-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetamide
CID 112838785
4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide
CID 2541352
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246805

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide (CID 4968627) is 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1)CC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is VMTJIMAROLDZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2F2N3O2/c1-2-7-26(10-18(27)24-13-4-5-15(22)16(23)9-13)11-19(28)25-17-6-3-12(20)8-14(17)21/h3-6,8-9H,2,7,10-11H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide?
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 430.28 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 4968627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).