2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide

C19H21Cl2N3O3 — CID 9027460

IUPAC2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H21Cl2N3O3/c1-3-24(11-18(25)22-13-4-7-15(27-2)8-5-13)12-19(26)23-14-6-9-16(20)17(21)10-14/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyUNYQTCDPOXTDFT-UHFFFAOYSA-N
MW410.30 g/mol
LogP3.90
Rot. Bonds8

About 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide

2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide (PubChem CID 9027460) has the molecular formula C19H21Cl2N3O3 and a molecular weight of 410.30 g/mol. Its IUPAC name is 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
PubChem CID9027460
Molecular FormulaC19H21Cl2N3O3
Molecular Weight410.30 g/mol
Exact Mass409.10
IUPAC Name2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H21Cl2N3O3/c1-3-24(11-18(25)22-13-4-7-15(27-2)8-5-13)12-19(26)23-14-6-9-16(20)17(21)10-14/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyUNYQTCDPOXTDFT-UHFFFAOYSA-N
XLogP3.90
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.30
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2657158
N-(3,4-dichlorophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3994526
2-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 2657150
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2491478
2-[cyclopropylmethyl(ethyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 86946251
2-(dipropylamino)-N-(4-methoxyphenyl)acetamide
CID 54817180
N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039718
2-[cyanomethyl(ethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 37426429
2-[ethyl-[2-(2-ethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9027158
2-[ethyl-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 18085874
N-(3,4-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808800
2-[bis(3-hydroxypropyl)amino]-N-(4-methoxyphenyl)acetamide
CID 18870810

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide (CID 9027460) is 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is UNYQTCDPOXTDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O3/c1-3-24(11-18(25)22-13-4-7-15(27-2)8-5-13)12-19(26)23-14-6-9-16(20)17(21)10-14/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide?
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 410.30 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 9027460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).