3-cyclopentyl-N-(diaminomethylidene)-2-(3,4-dichlorophenyl)propanamide

C15H19Cl2N3O — CID 46223343

IUPAC3-cyclopentyl-N-(diaminomethylidene)-2-(3,4-dichlorophenyl)propanamide
SMILESNC(N)=NC(=O)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2N3O/c16-12-6-5-10(8-13(12)17)11(14(21)20-15(18)19)7-9-3-1-2-4-9/h5-6,8-9,11H,1-4,7H2,(H4,18,19,20,21)
InChIKeyMSMYMLGXTCCCDG-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.46
Rot. Bonds4

About 3-cyclopentyl-N-(diaminomethylidene)-2-(3,4-dichlorophenyl)propanamide

3-cyclopentyl-N-(diaminomethylidene)-2-(3,4-dichlorophenyl)propanamide (PubChem CID 46223343) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 3-cyclopentyl-N-(diaminomethylidene)-2-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(diaminomethylidene)-2-(3,4-dichlorophenyl)propanamide
PubChem CID46223343
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name3-cyclopentyl-N-(diaminomethylidene)-2-(3,4-dichlorophenyl)propanamide
SMILESNC(N)=NC(=O)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2N3O/c16-12-6-5-10(8-13(12)17)11(14(21)20-15(18)19)7-9-3-1-2-4-9/h5-6,8-9,11H,1-4,7H2,(H4,18,19,20,21)
InChIKeyMSMYMLGXTCCCDG-UHFFFAOYSA-N
XLogP3.46
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(diaminomethylidene)-2-(3,4-dichlorophenyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(diaminomethylidene)-2-(3,4-dichlorophenyl)propanamide (CID 46223343) is 3-cyclopentyl-N-(diaminomethylidene)-2-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(diaminomethylidene)-2-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(diaminomethylidene)-2-(3,4-dichlorophenyl)propanamide is NC(N)=NC(=O)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-cyclopentyl-N-(diaminomethylidene)-2-(3,4-dichlorophenyl)propanamide?
The InChIKey is MSMYMLGXTCCCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c16-12-6-5-10(8-13(12)17)11(14(21)20-15(18)19)7-9-3-1-2-4-9/h5-6,8-9,11H,1-4,7H2,(H4,18,19,20,21).
What are the key properties of 3-cyclopentyl-N-(diaminomethylidene)-2-(3,4-dichlorophenyl)propanamide?
3-cyclopentyl-N-(diaminomethylidene)-2-(3,4-dichlorophenyl)propanamide has a molecular weight of 328.24 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(diaminomethylidene)-2-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 46223343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).