(NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

C17H15Cl2NO — CID 87161945

IUPAC(NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCC1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2/C1=N\O
InChIInChI=1S/C17H15Cl2NO/c1-10-8-14(11-6-7-15(18)16(19)9-11)12-4-2-3-5-13(12)17(10)20-21/h2-7,9-10,14,21H,8H2,1H3/b20-17-/t10?,14-/m0/s1
InChIKeyFSJZHRHTCUIWJP-HIBXSWDZSA-N
MW320.22 g/mol
LogP5.34
Rot. Bonds1

About (NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine

(NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (PubChem CID 87161945) has the molecular formula C17H15Cl2NO and a molecular weight of 320.22 g/mol. Its IUPAC name is (NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
PubChem CID87161945
Molecular FormulaC17H15Cl2NO
Molecular Weight320.22 g/mol
Exact Mass319.05
IUPAC Name(NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine
SMILESCC1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2/C1=N\O
InChIInChI=1S/C17H15Cl2NO/c1-10-8-14(11-6-7-15(18)16(19)9-11)12-4-2-3-5-13(12)17(10)20-21/h2-7,9-10,14,21H,8H2,1H3/b20-17-/t10?,14-/m0/s1
InChIKeyFSJZHRHTCUIWJP-HIBXSWDZSA-N
XLogP5.34
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.22
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine (CID 87161945) is (NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is CC1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2/C1=N\O.
What is the InChIKey of (NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
The InChIKey is FSJZHRHTCUIWJP-HIBXSWDZSA-N. The full InChI is InChI=1S/C17H15Cl2NO/c1-10-8-14(11-6-7-15(18)16(19)9-11)12-4-2-3-5-13(12)17(10)20-21/h2-7,9-10,14,21H,8H2,1H3/b20-17-/t10?,14-/m0/s1.
What are the key properties of (NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine?
(NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine has a molecular weight of 320.22 g/mol, XLogP of 5.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4S)-4-(3,4-dichlorophenyl)-2-methyl-3,4-dihydro-2H-naphthalen-1-ylidene]hydroxylamine is sourced from PubChem (CID 87161945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).