N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide

C16H16Cl2N2O — CID 51654070

IUPACN-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide
SMILESCN(CCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c1-20(13-5-3-2-4-6-13)10-9-16(21)19-15-11-12(17)7-8-14(15)18/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyMCCAQAGSCHPVIR-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.46
Rot. Bonds5

About N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide

N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide (PubChem CID 51654070) has the molecular formula C16H16Cl2N2O and a molecular weight of 323.22 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide
PubChem CID51654070
Molecular FormulaC16H16Cl2N2O
Molecular Weight323.22 g/mol
Exact Mass322.06
IUPAC NameN-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide
SMILESCN(CCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O/c1-20(13-5-3-2-4-6-13)10-9-16(21)19-15-11-12(17)7-8-14(15)18/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyMCCAQAGSCHPVIR-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-(2,5-dichlorophenyl)-2-(N-methylanilino)acetamide
CID 2685123
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-(N-methylanilino)propanamide
CID 51170623
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
3-[[2-(2,5-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986545
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2,5-dichlorophenyl)propanamide
CID 113117624
2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012162
3-(2,5-dichlorophenyl)-1-hydroxy-1-phenylurea
CID 138755485
N-(2,4-dichlorophenyl)-3-(N-ethylanilino)propanamide
CID 109036579
N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide
CID 55353426
3-[benzyl(methyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 109020669
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide (CID 51654070) is N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide is CN(CCC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide?
The InChIKey is MCCAQAGSCHPVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O/c1-20(13-5-3-2-4-6-13)10-9-16(21)19-15-11-12(17)7-8-14(15)18/h2-8,11H,9-10H2,1H3,(H,19,21).
What are the key properties of N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide?
N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide 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 N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide is sourced from PubChem (CID 51654070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).