N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide

C22H14Cl2N2O — CID 6139999

IUPACN-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide
SMILESO=C(N/N=C\c1c2ccccc2cc2ccccc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H14Cl2N2O/c23-20-10-9-16(12-21(20)24)22(27)26-25-13-19-17-7-3-1-5-14(17)11-15-6-2-4-8-18(15)19/h1-13H,(H,26,27)/b25-13-
InChIKeyCONZVWBNSURMNH-MXAYSNPKSA-N
MW393.27 g/mol
LogP6.06
Rot. Bonds3

About N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide

N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide (PubChem CID 6139999) has the molecular formula C22H14Cl2N2O and a molecular weight of 393.27 g/mol. Its IUPAC name is N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide
PubChem CID6139999
Molecular FormulaC22H14Cl2N2O
Molecular Weight393.27 g/mol
Exact Mass392.05
IUPAC NameN-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide
SMILESO=C(N/N=C\c1c2ccccc2cc2ccccc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H14Cl2N2O/c23-20-10-9-16(12-21(20)24)22(27)26-25-13-19-17-7-3-1-5-14(17)11-15-6-2-4-8-18(15)19/h1-13H,(H,26,27)/b25-13-
InChIKeyCONZVWBNSURMNH-MXAYSNPKSA-N
XLogP6.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.27
LogP ≤ 56.06
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(anthracen-9-ylmethylideneamino)-3,4-dichlorobenzamide
CID 4524228
N-(anthracen-9-ylmethylideneamino)-4-chloro-3-nitrobenzamide
CID 3406553
N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide
CID 702160
N-[(Z)-anthracen-9-ylmethylideneamino]-3-hydroxybenzamide
CID 6016653
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
3-chloro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
CID 137122870
[1-[[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 4063401
N-(anthracen-9-ylmethylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 3995979
3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
CID 4991897
3,4-dichloro-N-[[2-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 4588973
N-(anthracen-9-ylmethylideneamino)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 3366770
N-(anthracen-9-ylmethylideneamino)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 2041756

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide?
The IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide (CID 6139999) is N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide?
The canonical SMILES for N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide is O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide?
The InChIKey is CONZVWBNSURMNH-MXAYSNPKSA-N. The full InChI is InChI=1S/C22H14Cl2N2O/c23-20-10-9-16(12-21(20)24)22(27)26-25-13-19-17-7-3-1-5-14(17)11-15-6-2-4-8-18(15)19/h1-13H,(H,26,27)/b25-13-.
What are the key properties of N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide?
N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide has a molecular weight of 393.27 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-anthracen-9-ylmethylideneamino]-3,4-dichlorobenzamide is sourced from PubChem (CID 6139999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).