methyl 4-(3-chlorophenoxy)benzenecarboximidate

C14H12ClNO2 — CID 82302479

IUPACmethyl 4-(3-chlorophenoxy)benzenecarboximidate
SMILES[H]/N=C(\OC)c1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12ClNO2/c1-17-14(16)10-5-7-12(8-6-10)18-13-4-2-3-11(15)9-13/h2-9,16H,1H3/b16-14-
InChIKeyOPORPSXDKJLATP-PEZBUJJGSA-N
MW261.71 g/mol
LogP4.10
Rot. Bonds3

About methyl 4-(3-chlorophenoxy)benzenecarboximidate

methyl 4-(3-chlorophenoxy)benzenecarboximidate (PubChem CID 82302479) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is methyl 4-(3-chlorophenoxy)benzenecarboximidate.

Molecular Properties

Compound Namemethyl 4-(3-chlorophenoxy)benzenecarboximidate
PubChem CID82302479
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Namemethyl 4-(3-chlorophenoxy)benzenecarboximidate
SMILES[H]/N=C(\OC)c1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12ClNO2/c1-17-14(16)10-5-7-12(8-6-10)18-13-4-2-3-11(15)9-13/h2-9,16H,1H3/b16-14-
InChIKeyOPORPSXDKJLATP-PEZBUJJGSA-N
XLogP4.10
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(3-fluorophenoxy)benzenecarboximidate
CID 82294589
methyl 4-(4-ethylphenoxy)benzenecarboximidate
CID 95464155
methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate
CID 82305595
[4-(3-chlorophenoxy)phenyl]-(4-hydroxyphenyl)methanone
CID 19806495
4-(3-chlorophenoxy)-1,2-dimethylbenzene
CID 70594513
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
2-[[4-(3-chlorophenoxy)benzoyl]amino]benzoic acid
CID 11990480
methyl 2-(3-chlorophenoxy)-2-[4-(4-chlorophenoxy)phenyl]acetate
CID 12531856
1-[4-(3-chlorophenoxy)phenyl]-N-ethylethanamine
CID 43285575
4-[4-(3-chlorophenoxy)phenyl]but-3-yn-1-ol
CID 54436236
methyl 3-bromo-5-chlorobenzenecarboximidate
CID 86222871
1-butan-2-yl-4-(3-chlorophenoxy)benzene
CID 90872043

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-chlorophenoxy)benzenecarboximidate?
The IUPAC name of methyl 4-(3-chlorophenoxy)benzenecarboximidate (CID 82302479) is methyl 4-(3-chlorophenoxy)benzenecarboximidate.
What is the SMILES notation for methyl 4-(3-chlorophenoxy)benzenecarboximidate?
The canonical SMILES for methyl 4-(3-chlorophenoxy)benzenecarboximidate is [H]/N=C(\OC)c1ccc(Oc2cccc(Cl)c2)cc1.
What is the InChIKey of methyl 4-(3-chlorophenoxy)benzenecarboximidate?
The InChIKey is OPORPSXDKJLATP-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-17-14(16)10-5-7-12(8-6-10)18-13-4-2-3-11(15)9-13/h2-9,16H,1H3/b16-14-.
What are the key properties of methyl 4-(3-chlorophenoxy)benzenecarboximidate?
methyl 4-(3-chlorophenoxy)benzenecarboximidate has a molecular weight of 261.71 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-chlorophenoxy)benzenecarboximidate is sourced from PubChem (CID 82302479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).