2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide

C17H15ClN2O — CID 6536301

IUPAC2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
SMILESO=C(N/N=C1/CCCc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O/c18-15-10-4-3-9-14(15)17(21)20-19-16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10H,5,7,11H2,(H,20,21)/b19-16-
InChIKeyILJZYDLLTVZADC-MNDPQUGUSA-N
MW298.77 g/mol
LogP3.81
Rot. Bonds2

About 2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide

2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide (PubChem CID 6536301) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
PubChem CID6536301
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
SMILESO=C(N/N=C1/CCCc2ccccc21)c1ccccc1Cl
InChIInChI=1S/C17H15ClN2O/c18-15-10-4-3-9-14(15)17(21)20-19-16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10H,5,7,11H2,(H,20,21)/b19-16-
InChIKeyILJZYDLLTVZADC-MNDPQUGUSA-N
XLogP3.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.81
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-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-hydroxybenzamide
CID 4999116
2-bromo-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide
CID 3411206
2-[(2-chlorophenyl)methoxy]-N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)benzamide
CID 5203268
2-N,5-N-bis(3,4-dihydro-2H-naphthalen-1-ylideneamino)furan-2,5-dicarboxamide
CID 3419131
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-1H-indole-3-carboxamide
CID 840700
2-[(2-chlorophenyl)methoxy]-N-[(E)-2,3-dihydroinden-1-ylideneamino]benzamide
CID 6310157
2-[(2-chlorophenyl)methoxy]-N-[(Z)-2,3-dihydroinden-1-ylideneamino]benzamide
CID 6536600
2-[(2-chlorophenyl)methoxy]-N-(2,3-dihydroinden-1-ylideneamino)benzamide
CID 5237892
2,4-dimethyl-N-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]benzamide
CID 6525291
2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid
CID 6217133
N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]-2-phenylacetamide
CID 5395791
4-(cyclopropanecarbonylamino)-N-[(E)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide
CID 5419553

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide (CID 6536301) is 2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide is O=C(N/N=C1/CCCc2ccccc21)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide?
The InChIKey is ILJZYDLLTVZADC-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-15-10-4-3-9-14(15)17(21)20-19-16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10H,5,7,11H2,(H,20,21)/b19-16-.
What are the key properties of 2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide?
2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide has a molecular weight of 298.77 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]benzamide is sourced from PubChem (CID 6536301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).