2,4-dichloro-N-(ethylideneamino)benzamide

C9H8Cl2N2O — CID 3608480

IUPAC2,4-dichloro-N-(ethylideneamino)benzamide
SMILESCC=NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2N2O/c1-2-12-13-9(14)7-4-3-6(10)5-8(7)11/h2-5H,1H3,(H,13,14)
InChIKeyUTNVMNPFTGFCDX-UHFFFAOYSA-N
MW231.08 g/mol
LogP2.73
Rot. Bonds2

About 2,4-dichloro-N-(ethylideneamino)benzamide

2,4-dichloro-N-(ethylideneamino)benzamide (PubChem CID 3608480) has the molecular formula C9H8Cl2N2O and a molecular weight of 231.08 g/mol. Its IUPAC name is 2,4-dichloro-N-(ethylideneamino)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(ethylideneamino)benzamide
PubChem CID3608480
Molecular FormulaC9H8Cl2N2O
Molecular Weight231.08 g/mol
Exact Mass230.00
IUPAC Name2,4-dichloro-N-(ethylideneamino)benzamide
SMILESCC=NNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2N2O/c1-2-12-13-9(14)7-4-3-6(10)5-8(7)11/h2-5H,1H3,(H,13,14)
InChIKeyUTNVMNPFTGFCDX-UHFFFAOYSA-N
XLogP2.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 52.73
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

2,4-dichloro-N-[(Z)-cyclopentylmethylideneamino]benzamide
CID 57404080
2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3752825
2,4-dichloro-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]benzamide
CID 6036717
methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 3281330
2,4-dichloro-N-[(2-chloro-5-nitrophenyl)methylideneamino]benzamide
CID 4507805
2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5403738
2,4-dichloro-N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3849495
2,4-dichloro-N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 136661445
2,4-dichloro-N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 137131275
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2,4-dichlorobenzamide
CID 136904981
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]-2,4-dichlorobenzamide
CID 126007261

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(ethylideneamino)benzamide?
The IUPAC name of 2,4-dichloro-N-(ethylideneamino)benzamide (CID 3608480) is 2,4-dichloro-N-(ethylideneamino)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(ethylideneamino)benzamide?
The canonical SMILES for 2,4-dichloro-N-(ethylideneamino)benzamide is CC=NNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(ethylideneamino)benzamide?
The InChIKey is UTNVMNPFTGFCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2O/c1-2-12-13-9(14)7-4-3-6(10)5-8(7)11/h2-5H,1H3,(H,13,14).
What are the key properties of 2,4-dichloro-N-(ethylideneamino)benzamide?
2,4-dichloro-N-(ethylideneamino)benzamide has a molecular weight of 231.08 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(ethylideneamino)benzamide is sourced from PubChem (CID 3608480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).