3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide

C19H21Cl2N3O2 — CID 54832743

IUPAC3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C19H21Cl2N3O2/c1-3-24(4-2)19(26)13-6-5-7-16(8-13)22-12-18(25)23-17-10-14(20)9-15(21)11-17/h5-11,22H,3-4,12H2,1-2H3,(H,23,25)
InChIKeyQFFORABRZXYRJH-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.53
Rot. Bonds7

About 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide

3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide (PubChem CID 54832743) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
PubChem CID54832743
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C19H21Cl2N3O2/c1-3-24(4-2)19(26)13-6-5-7-16(8-13)22-12-18(25)23-17-10-14(20)9-15(21)11-17/h5-11,22H,3-4,12H2,1-2H3,(H,23,25)
InChIKeyQFFORABRZXYRJH-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832742
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832690
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838861
3-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-diethylbenzamide
CID 54818144
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
3-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832401
3-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 54837209
3-[[2-(4-chloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810385
N,N-diethyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54832534
N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835017
N,N-diethyl-3-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54832527

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide (CID 54832743) is 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide?
The InChIKey is QFFORABRZXYRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-3-24(4-2)19(26)13-6-5-7-16(8-13)22-12-18(25)23-17-10-14(20)9-15(21)11-17/h5-11,22H,3-4,12H2,1-2H3,(H,23,25).
What are the key properties of 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide?
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide has a molecular weight of 394.30 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 54832743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).