N-[(Z)-[(E)-but-2-enylidene]amino]-3,4-dichlorobenzamide

C11H10Cl2N2O — CID 6246677

IUPACN-[(Z)-[(E)-but-2-enylidene]amino]-3,4-dichlorobenzamide
SMILESC/C=C/C=N\NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O/c1-2-3-6-14-15-11(16)8-4-5-9(12)10(13)7-8/h2-7H,1H3,(H,15,16)/b3-2+,14-6-
InChIKeyNTVUDBHMWRRBFG-VNNOTUCTSA-N
MW257.12 g/mol
LogP3.29
Rot. Bonds3

About N-[(Z)-[(E)-but-2-enylidene]amino]-3,4-dichlorobenzamide

N-[(Z)-[(E)-but-2-enylidene]amino]-3,4-dichlorobenzamide (PubChem CID 6246677) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is N-[(Z)-[(E)-but-2-enylidene]amino]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-[(E)-but-2-enylidene]amino]-3,4-dichlorobenzamide
PubChem CID6246677
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC NameN-[(Z)-[(E)-but-2-enylidene]amino]-3,4-dichlorobenzamide
SMILESC/C=C/C=N\NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2O/c1-2-3-6-14-15-11(16)8-4-5-9(12)10(13)7-8/h2-7H,1H3,(H,15,16)/b3-2+,14-6-
InChIKeyNTVUDBHMWRRBFG-VNNOTUCTSA-N
XLogP3.29
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.29
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-(but-2-enylideneamino)-3,4-dichlorobenzamide
CID 6842493
N-[(E)-[(E)-but-2-enylidene]amino]-3,6-dichloropyridine-2-carboxamide
CID 45276044
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
1-(3,4-dichlorophenyl)hexa-2,4-dien-1-one
CID 123362586
3,4-dichloro-N-[(Z)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylideneamino]benzamide
CID 137173876
3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
CID 4991897
N-(anthracen-9-ylmethylideneamino)-3,4-dichlorobenzamide
CID 4524228
N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide
CID 6139999
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-3,4-dichlorobenzamide
CID 5430767
3,4-dichloro-N-[(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 3367156
3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4588973
3,4-dichloro-N-[(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 1001986

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-but-2-enylidene]amino]-3,4-dichlorobenzamide?
The IUPAC name of N-[(Z)-[(E)-but-2-enylidene]amino]-3,4-dichlorobenzamide (CID 6246677) is N-[(Z)-[(E)-but-2-enylidene]amino]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[(Z)-[(E)-but-2-enylidene]amino]-3,4-dichlorobenzamide?
The canonical SMILES for N-[(Z)-[(E)-but-2-enylidene]amino]-3,4-dichlorobenzamide is C/C=C/C=N\NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(Z)-[(E)-but-2-enylidene]amino]-3,4-dichlorobenzamide?
The InChIKey is NTVUDBHMWRRBFG-VNNOTUCTSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-2-3-6-14-15-11(16)8-4-5-9(12)10(13)7-8/h2-7H,1H3,(H,15,16)/b3-2+,14-6-.
What are the key properties of N-[(Z)-[(E)-but-2-enylidene]amino]-3,4-dichlorobenzamide?
N-[(Z)-[(E)-but-2-enylidene]amino]-3,4-dichlorobenzamide has a molecular weight of 257.12 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-but-2-enylidene]amino]-3,4-dichlorobenzamide is sourced from PubChem (CID 6246677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).