N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide

C18H19ClN2O4 — CID 108949928

IUPACN'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide
SMILESCOc1ccc(CNC(=O)CC(=O)Nc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H19ClN2O4/c1-24-15-7-6-12(8-16(15)25-2)11-20-17(22)10-18(23)21-14-5-3-4-13(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVXHRDKKSTUFQKZ-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.00
Rot. Bonds7

About N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide

N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide (PubChem CID 108949928) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide
PubChem CID108949928
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide
SMILESCOc1ccc(CNC(=O)CC(=O)Nc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H19ClN2O4/c1-24-15-7-6-12(8-16(15)25-2)11-20-17(22)10-18(23)21-14-5-3-4-13(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyVXHRDKKSTUFQKZ-UHFFFAOYSA-N
XLogP3.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028172
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
2-(3-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2707667
N'-(2,6-diethylphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide
CID 108949921
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 2986546
1-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiourea
CID 9298340
2-(3,5-dichloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 26417644
N-(3-chlorophenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8720958
2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 109003188
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9241198
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38167581
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide?
The IUPAC name of N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide (CID 108949928) is N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide?
The canonical SMILES for N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide is COc1ccc(CNC(=O)CC(=O)Nc2cccc(Cl)c2)cc1OC.
What is the InChIKey of N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide?
The InChIKey is VXHRDKKSTUFQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-24-15-7-6-12(8-16(15)25-2)11-20-17(22)10-18(23)21-14-5-3-4-13(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide?
N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide has a molecular weight of 362.81 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]propanediamide is sourced from PubChem (CID 108949928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).