N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylpropanamide

C12H14Cl2N2O — CID 6510256

IUPACN-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylpropanamide
SMILESC/C(=N/NC(=O)C(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-7(2)12(17)16-15-8(3)10-5-4-9(13)6-11(10)14/h4-7H,1-3H3,(H,16,17)/b15-8-
InChIKeyYZWLRGZBJBPGMJ-NVNXTCNLSA-N
MW273.16 g/mol
LogP3.49
Rot. Bonds3

About N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylpropanamide

N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylpropanamide (PubChem CID 6510256) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylpropanamide
PubChem CID6510256
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC NameN-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylpropanamide
SMILESC/C(=N/NC(=O)C(C)C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-7(2)12(17)16-15-8(3)10-5-4-9(13)6-11(10)14/h4-7H,1-3H3,(H,16,17)/b15-8-
InChIKeyYZWLRGZBJBPGMJ-NVNXTCNLSA-N
XLogP3.49
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.49
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

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Diclomezine
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6-(4-Chlorophenyl)-2,3-dihydropyridazin-3-one
CID 689085
3N-004
CID 5465093
2-(2,4-Dichlorophenyl)-2-(6-hydroxy-3-pyridazinyl)acetonitrile
CID 4358479
CID 2729945
CID 2729945
2-(1-(2-Chlorophenyl)ethylidene)hydrazinecarboxamide
CID 5747816
N'-[(1E)-1-(4-chlorophenyl)ethylidene]cyclopentanecarbohydrazide
CID 25237608
N'-[1-(3,4-dichlorophenyl)ethylidene]cyclopropanecarbohydrazide
CID 9563500
N-[(2,4-dichlorophenyl)methylideneamino]cyclopropanecarboxamide
CID 251535
4-(2,4-dichlorophenyl)-6-phenyl-4,5-dihydro-3(2H)-pyridazinone
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N'-[1-(4-chlorophenyl)ethylidene]hexanohydrazide
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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylpropanamide?
The IUPAC name of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylpropanamide (CID 6510256) is N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylpropanamide.
What is the SMILES notation for N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylpropanamide?
The canonical SMILES for N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylpropanamide is C/C(=N/NC(=O)C(C)C)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylpropanamide?
The InChIKey is YZWLRGZBJBPGMJ-NVNXTCNLSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-7(2)12(17)16-15-8(3)10-5-4-9(13)6-11(10)14/h4-7H,1-3H3,(H,16,17)/b15-8-.
What are the key properties of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylpropanamide?
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-methylpropanamide has a molecular weight of 273.16 g/mol, XLogP of 3.49, 3 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)ethylideneamino]-2-methylpropanamide is sourced from PubChem (CID 6510256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).