1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylnaphthalene-2-carbonitrile

C19H12Cl2N2O — CID 2731573

IUPAC1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylnaphthalene-2-carbonitrile
SMILESCc1cc2ccccc2c(/N=C/c2cc(Cl)cc(Cl)c2O)c1C#N
InChIInChI=1S/C19H12Cl2N2O/c1-11-6-12-4-2-3-5-15(12)18(16(11)9-22)23-10-13-7-14(20)8-17(21)19(13)24/h2-8,10,24H,1H3/b23-10+
InChIKeyKNTDTLNALDKSKJ-AUEPDCJTSA-N
MW355.22 g/mol
LogP5.78
Rot. Bonds2

About 1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylnaphthalene-2-carbonitrile

1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylnaphthalene-2-carbonitrile (PubChem CID 2731573) has the molecular formula C19H12Cl2N2O and a molecular weight of 355.22 g/mol. Its IUPAC name is 1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylnaphthalene-2-carbonitrile.

Molecular Properties

Compound Name1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylnaphthalene-2-carbonitrile
PubChem CID2731573
Molecular FormulaC19H12Cl2N2O
Molecular Weight355.22 g/mol
Exact Mass354.03
IUPAC Name1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylnaphthalene-2-carbonitrile
SMILESCc1cc2ccccc2c(/N=C/c2cc(Cl)cc(Cl)c2O)c1C#N
InChIInChI=1S/C19H12Cl2N2O/c1-11-6-12-4-2-3-5-15(12)18(16(11)9-22)23-10-13-7-14(20)8-17(21)19(13)24/h2-8,10,24H,1H3/b23-10+
InChIKeyKNTDTLNALDKSKJ-AUEPDCJTSA-N
XLogP5.78
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.22
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylnaphthalene-2-carbonitrile?
The IUPAC name of 1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylnaphthalene-2-carbonitrile (CID 2731573) is 1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylnaphthalene-2-carbonitrile.
What is the SMILES notation for 1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylnaphthalene-2-carbonitrile?
The canonical SMILES for 1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylnaphthalene-2-carbonitrile is Cc1cc2ccccc2c(/N=C/c2cc(Cl)cc(Cl)c2O)c1C#N.
What is the InChIKey of 1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylnaphthalene-2-carbonitrile?
The InChIKey is KNTDTLNALDKSKJ-AUEPDCJTSA-N. The full InChI is InChI=1S/C19H12Cl2N2O/c1-11-6-12-4-2-3-5-15(12)18(16(11)9-22)23-10-13-7-14(20)8-17(21)19(13)24/h2-8,10,24H,1H3/b23-10+.
What are the key properties of 1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylnaphthalene-2-carbonitrile?
1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylnaphthalene-2-carbonitrile has a molecular weight of 355.22 g/mol, XLogP of 5.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-3-methylnaphthalene-2-carbonitrile is sourced from PubChem (CID 2731573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).