2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride

C15H16Cl2N2O2 — CID 135675803

IUPAC2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride
SMILESCOc1ccc(/C(C)=N/Nc2ccc(Cl)cc2)c(O)c1.Cl
InChIInChI=1S/C15H15ClN2O2.ClH/c1-10(14-8-7-13(20-2)9-15(14)19)17-18-12-5-3-11(16)4-6-12;/h3-9,18-19H,1-2H3;1H/b17-10+;
InChIKeyHZKVQGDAGPXPKT-LZMXEPDESA-N
MW327.21 g/mol
LogP4.31
Rot. Bonds4

About 2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride

2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride (PubChem CID 135675803) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride.

Molecular Properties

Compound Name2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride
PubChem CID135675803
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride
SMILESCOc1ccc(/C(C)=N/Nc2ccc(Cl)cc2)c(O)c1.Cl
InChIInChI=1S/C15H15ClN2O2.ClH/c1-10(14-8-7-13(20-2)9-15(14)19)17-18-12-5-3-11(16)4-6-12;/h3-9,18-19H,1-2H3;1H/b17-10+;
InChIKeyHZKVQGDAGPXPKT-LZMXEPDESA-N
XLogP4.31
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 3903228
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
CID 135767611
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
CID 137082808
1-ethyl-3-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiourea
CID 135751899
5-methoxy-2-[(E)-C-methyl-N-[2-(trifluoromethyl)anilino]carbonimidoyl]phenol
CID 135614035
4-methoxy-2-[(E)-C-methyl-N-[4-(4-methylphenyl)sulfonylanilino]carbonimidoyl]phenol
CID 135749534
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline
CID 8826053
4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
CID 137156329
3-[2-[1-(2-hydroxy-4-methoxyphenyl)ethylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135478995
4-chloro-N-[(Z)-1-(2-fluorophenyl)ethylideneamino]aniline
CID 7937205
2-[(E)-N-[(3,5-dichloro-2-pyridinyl)amino]-C-methylcarbonimidoyl]-4-methoxyphenol
CID 135811285
N-[(Z)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 136690202

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride?
The IUPAC name of 2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride (CID 135675803) is 2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride.
What is the SMILES notation for 2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride?
The canonical SMILES for 2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride is COc1ccc(/C(C)=N/Nc2ccc(Cl)cc2)c(O)c1.Cl.
What is the InChIKey of 2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride?
The InChIKey is HZKVQGDAGPXPKT-LZMXEPDESA-N. The full InChI is InChI=1S/C15H15ClN2O2.ClH/c1-10(14-8-7-13(20-2)9-15(14)19)17-18-12-5-3-11(16)4-6-12;/h3-9,18-19H,1-2H3;1H/b17-10+;.
What are the key properties of 2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride?
2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride has a molecular weight of 327.21 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-5-methoxyphenol;hydrochloride is sourced from PubChem (CID 135675803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).