N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide

C13H14Cl2N2O — CID 6300945

IUPACN-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide
SMILESCC/C(=N/NC(=O)C1CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O/c1-2-12(16-17-13(18)8-3-4-8)10-6-5-9(14)7-11(10)15/h5-8H,2-4H2,1H3,(H,17,18)/b16-12-
InChIKeyOEGYNBLOONIQKP-VBKFSLOCSA-N
MW285.17 g/mol
LogP3.63
Rot. Bonds4

About N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide

N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide (PubChem CID 6300945) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide
PubChem CID6300945
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC NameN-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide
SMILESCC/C(=N/NC(=O)C1CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H14Cl2N2O/c1-2-12(16-17-13(18)8-3-4-8)10-6-5-9(14)7-11(10)15/h5-8H,2-4H2,1H3,(H,17,18)/b16-12-
InChIKeyOEGYNBLOONIQKP-VBKFSLOCSA-N
XLogP3.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(2,4-dichlorophenyl)propylideneamino]oxamide
CID 4181307
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237610
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 6023036
4-tert-butyl-N-[1-(2,4-dichlorophenyl)propylideneamino]benzamide
CID 3681131
N-[1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 4154549
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6073439
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]-3-methylbenzamide
CID 19685167
2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120
N-[1-(2,4-dichlorophenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 4133962
N-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide
CID 88673856
N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide
CID 9233990
2,4-dichloro-N-[2-[2-(cyclopropanecarbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 51165988

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide (CID 6300945) is N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide is CC/C(=N/NC(=O)C1CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide?
The InChIKey is OEGYNBLOONIQKP-VBKFSLOCSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c1-2-12(16-17-13(18)8-3-4-8)10-6-5-9(14)7-11(10)15/h5-8H,2-4H2,1H3,(H,17,18)/b16-12-.
What are the key properties of N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide?
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide has a molecular weight of 285.17 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 6300945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).