4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide

C19H21Cl2N3O2 — CID 26507410

IUPAC4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-3-24(4-2)19(26)13-5-8-15(9-6-13)23-18(25)12-22-17-10-7-14(20)11-16(17)21/h5-11,22H,3-4,12H2,1-2H3,(H,23,25)
InChIKeyCBSPMQOHODYTJW-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.53
Rot. Bonds7

About 4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide

4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 26507410) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide
PubChem CID26507410
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC Name4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2N3O2/c1-3-24(4-2)19(26)13-5-8-15(9-6-13)23-18(25)12-22-17-10-7-14(20)11-16(17)21/h5-11,22H,3-4,12H2,1-2H3,(H,23,25)
InChIKeyCBSPMQOHODYTJW-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

2-(2,4-dichloroanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 109010434
4-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834006
4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
CID 26531357
4-[[2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 55896896
4-[[2-(3-chloro-2-fluoroanilino)acetyl]amino]-N,N-diethylbenzamide
CID 51254446
3-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54810866
4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 26507194
2-(2,4-dichloroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 54811499
4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
CID 54812461
N,N-diethyl-4-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820671
4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846187

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide (CID 26507410) is 4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NC(=O)CNc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is CBSPMQOHODYTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-3-24(4-2)19(26)13-5-8-15(9-6-13)23-18(25)12-22-17-10-7-14(20)11-16(17)21/h5-11,22H,3-4,12H2,1-2H3,(H,23,25).
What are the key properties of 4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide?
4-[[2-(2,4-dichloroanilino)acetyl]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 4-[[2-(2,4-dichloroanilino)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 26507410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).