2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide

C19H21Cl2N3O2 — CID 36853264

IUPAC2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide
SMILESCCN(Cc1cccc(NCC(=O)Nc2ccc(Cl)cc2Cl)c1)C(C)=O
InChIInChI=1S/C19H21Cl2N3O2/c1-3-24(13(2)25)12-14-5-4-6-16(9-14)22-11-19(26)23-18-8-7-15(20)10-17(18)21/h4-10,22H,3,11-12H2,1-2H3,(H,23,26)
InChIKeyUBEOTSIMEDNFPS-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.41
Rot. Bonds7

About 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide

2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide (PubChem CID 36853264) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide
PubChem CID36853264
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide
SMILESCCN(Cc1cccc(NCC(=O)Nc2ccc(Cl)cc2Cl)c1)C(C)=O
InChIInChI=1S/C19H21Cl2N3O2/c1-3-24(13(2)25)12-14-5-4-6-16(9-14)22-11-19(26)23-18-8-7-15(20)10-17(18)21/h4-10,22H,3,11-12H2,1-2H3,(H,23,26)
InChIKeyUBEOTSIMEDNFPS-UHFFFAOYSA-N
XLogP4.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2-chlorophenyl)acetamide
CID 36853201
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,6-dimethylphenyl)acetamide
CID 36853212
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(4-ethylphenyl)acetamide
CID 36853289
4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 26507410
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
2-(3-chloro-4-fluoroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 26437681
3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54810691
2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9084577
N-(2,4-dichlorophenyl)-2-(2,6-difluoroanilino)acetamide
CID 78822630
2-(3-chloroanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9098819
2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54831443
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide
CID 60511474

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide (CID 36853264) is 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide is CCN(Cc1cccc(NCC(=O)Nc2ccc(Cl)cc2Cl)c1)C(C)=O.
What is the InChIKey of 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide?
The InChIKey is UBEOTSIMEDNFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-3-24(13(2)25)12-14-5-4-6-16(9-14)22-11-19(26)23-18-8-7-15(20)10-17(18)21/h4-10,22H,3,11-12H2,1-2H3,(H,23,26).
What are the key properties of 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide?
2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 394.30 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[acetyl(ethyl)amino]methyl]anilino]-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 36853264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).