N-(3,4-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide

C16H14Cl2N2O2 — CID 1490662

IUPACN-(3,4-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide
SMILESCN(C(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H14Cl2N2O2/c1-20(12-5-3-2-4-6-12)16(22)10-15(21)19-11-7-8-13(17)14(18)9-11/h2-9H,10H2,1H3,(H,19,21)
InChIKeyFMLCXBLTJZNVEZ-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.98
Rot. Bonds4

About N-(3,4-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide

N-(3,4-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide (PubChem CID 1490662) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide
PubChem CID1490662
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC NameN-(3,4-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide
SMILESCN(C(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H14Cl2N2O2/c1-20(12-5-3-2-4-6-12)16(22)10-15(21)19-11-7-8-13(17)14(18)9-11/h2-9H,10H2,1H3,(H,19,21)
InChIKeyFMLCXBLTJZNVEZ-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

Diuron
CID 3120
Propanil
CID 4933
Clobazam
CID 2789
3,4-Dichloroacetanilide
CID 16530
Chloranocryl
CID 16560
N,N'-bis(3,5-dichlorophenyl)propanediamide
CID 1240160
1-(3,4-Dichlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783423
N~1~,N~3~-Bis(2,5-dichlorophenyl)propanediamide
CID 2388897
N,N'-bis(3-chlorophenyl)propanediamide
CID 458048
3',4'-Dichloro-2,2-dimethylpropionanilide
CID 138949
1-allyl-N-(4-chlorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486110
N-(4-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 687128

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide?
The IUPAC name of N-(3,4-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide (CID 1490662) is N-(3,4-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide is CN(C(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide?
The InChIKey is FMLCXBLTJZNVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-20(12-5-3-2-4-6-12)16(22)10-15(21)19-11-7-8-13(17)14(18)9-11/h2-9H,10H2,1H3,(H,19,21).
What are the key properties of N-(3,4-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide?
N-(3,4-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-(3,4-dichlorophenyl)-N'-methyl-N'-phenylpropanediamide is sourced from PubChem (CID 1490662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).