3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide

C19H21Cl2N3O2 — CID 54810691

IUPAC3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1cccc(NC(=O)CNc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H21Cl2N3O2/c1-24(2)19(26)9-6-13-4-3-5-15(10-13)23-18(25)12-22-17-8-7-14(20)11-16(17)21/h3-5,7-8,10-11,22H,6,9,12H2,1-2H3,(H,23,25)
InChIKeyIYSDNPKNSXGUFB-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.06
Rot. Bonds7

About 3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide

3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide (PubChem CID 54810691) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
PubChem CID54810691
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1cccc(NC(=O)CNc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C19H21Cl2N3O2/c1-24(2)19(26)9-6-13-4-3-5-15(10-13)23-18(25)12-22-17-8-7-14(20)11-16(17)21/h3-5,7-8,10-11,22H,6,9,12H2,1-2H3,(H,23,25)
InChIKeyIYSDNPKNSXGUFB-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[[2-(5-chloro-2-methylanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54819261
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
3-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54817351
N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide
CID 54823352
N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide
CID 54812065
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495
3-[3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54832806
3-[3-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54814173
3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845549
N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845622
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840675

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide (CID 54810691) is 3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide is CN(C)C(=O)CCc1cccc(NC(=O)CNc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is IYSDNPKNSXGUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-24(2)19(26)9-6-13-4-3-5-15(10-13)23-18(25)12-22-17-8-7-14(20)11-16(17)21/h3-5,7-8,10-11,22H,6,9,12H2,1-2H3,(H,23,25).
What are the key properties of 3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide?
3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide has a molecular weight of 394.30 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(2,4-dichloroanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 54810691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).