N-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide

C16H14Cl2N2O2 — CID 108953239

IUPACN-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide
SMILESCN(C(=O)CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C16H14Cl2N2O2/c1-20(11-6-3-2-4-7-11)15(22)10-14(21)19-13-9-5-8-12(17)16(13)18/h2-9H,10H2,1H3,(H,19,21)
InChIKeyUHGNRZKQZDVTGD-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.98
Rot. Bonds4

About N-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide

N-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide (PubChem CID 108953239) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide
PubChem CID108953239
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC NameN-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide
SMILESCN(C(=O)CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C16H14Cl2N2O2/c1-20(11-6-3-2-4-7-11)15(22)10-14(21)19-13-9-5-8-12(17)16(13)18/h2-9H,10H2,1H3,(H,19,21)
InChIKeyUHGNRZKQZDVTGD-UHFFFAOYSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953174
N-(2,3-dichlorophenyl)-2-(N-ethylanilino)acetamide
CID 54808631
1-N-(2,3-dichlorophenyl)-4-N-methyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049517
3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991555
N-(2,5-dimethylphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953156
N-(2,3-dichlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108500732
2-(2,6-dichloroanilino)-N-methyl-N-phenylacetamide
CID 109007260
(3S)-N-(2,3-dichlorophenyl)-3-phenylbutanamide
CID 1122017
3-(2,3-dichlorophenyl)-1-phenyl-1-propan-2-ylurea
CID 3539470
N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109010323
N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953221
2-[acetyl(propan-2-yl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 113158283

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide?
The IUPAC name of N-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide (CID 108953239) is N-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide is CN(C(=O)CC(=O)Nc1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide?
The InChIKey is UHGNRZKQZDVTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-20(11-6-3-2-4-7-11)15(22)10-14(21)19-13-9-5-8-12(17)16(13)18/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide?
N-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide has a molecular weight of 337.21 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide is sourced from PubChem (CID 108953239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).