N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanimidate

C18H16Cl2NO- — CID 143552740

IUPACN-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanimidate
SMILESC/C([O-])=N\C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C18H17Cl2NO/c1-11(22)21-18-9-7-13(14-4-2-3-5-15(14)18)12-6-8-16(19)17(20)10-12/h2-6,8,10,13,18H,7,9H2,1H3,(H,21,22)/p-1
InChIKeyYIQKGDBXOASLSF-UHFFFAOYSA-M
MW333.24 g/mol
LogP4.74
Rot. Bonds2

About N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanimidate

N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanimidate (PubChem CID 143552740) has the molecular formula C18H16Cl2NO- and a molecular weight of 333.24 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanimidate.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanimidate
PubChem CID143552740
Molecular FormulaC18H16Cl2NO-
Molecular Weight333.24 g/mol
Exact Mass332.06
IUPAC NameN-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanimidate
SMILESC/C([O-])=N\C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C18H17Cl2NO/c1-11(22)21-18-9-7-13(14-4-2-3-5-15(14)18)12-6-8-16(19)17(20)10-12/h2-6,8,10,13,18H,7,9H2,1H3,(H,21,22)/p-1
InChIKeyYIQKGDBXOASLSF-UHFFFAOYSA-M
XLogP4.74
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanimidate?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanimidate (CID 143552740) is N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanimidate.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanimidate?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanimidate is C/C([O-])=N\C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanimidate?
The InChIKey is YIQKGDBXOASLSF-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H17Cl2NO/c1-11(22)21-18-9-7-13(14-4-2-3-5-15(14)18)12-6-8-16(19)17(20)10-12/h2-6,8,10,13,18H,7,9H2,1H3,(H,21,22)/p-1.
What are the key properties of N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanimidate?
N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanimidate has a molecular weight of 333.24 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanimidate is sourced from PubChem (CID 143552740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).