3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide

C16H16Cl2N2O — CID 109034616

IUPAC3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)CCNc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c1-20(13-5-3-2-4-6-13)16(21)9-10-19-15-8-7-12(17)11-14(15)18/h2-8,11,19H,9-10H2,1H3
InChIKeyUMGWUWFPYYUIRI-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.46
Rot. Bonds5

About 3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide

3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide (PubChem CID 109034616) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide
PubChem CID109034616
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC Name3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide
SMILESCN(C(=O)CCNc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c1-20(13-5-3-2-4-6-13)16(21)9-10-19-15-8-7-12(17)11-14(15)18/h2-8,11,19H,9-10H2,1H3
InChIKeyUMGWUWFPYYUIRI-UHFFFAOYSA-N
XLogP4.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-(2,4-dichloroanilino)-N-methylpropanamide
CID 109020531
3-(2,4-difluoroanilino)-N-methyl-N-phenylpropanamide
CID 109034608
3-(4-chloro-2-fluoroanilino)-N,N-dimethylpropanamide
CID 61469601
N-(2,4-dichlorophenyl)-2-[[2-(N-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 26599527
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide
CID 109036434
3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide
CID 60960402
3-(2,4-dichloroanilino)-N-(2-fluorophenyl)propanamide
CID 109037533
N'-(2,4-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 54806465
2-(3-chloroanilino)-N-methyl-N-phenylacetamide
CID 39373771
3-(2,4-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991553
ethyl 4-[3-(2,4-dichloroanilino)propanoyl]piperazine-1-carboxylate
CID 109029107

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide (CID 109034616) is 3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide is CN(C(=O)CCNc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide?
The InChIKey is UMGWUWFPYYUIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-20(13-5-3-2-4-6-13)16(21)9-10-19-15-8-7-12(17)11-14(15)18/h2-8,11,19H,9-10H2,1H3.
What are the key properties of 3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide?
3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide has a molecular weight of 323.22 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloroanilino)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 109034616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).