methyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate

C15H11Cl2NO2 — CID 88699654

IUPACmethyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate
SMILESCOC(=O)/C(=N\c1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H11Cl2NO2/c1-20-15(19)14(10-5-3-2-4-6-10)18-13-8-11(16)7-12(17)9-13/h2-9H,1H3/b18-14-
InChIKeyMDSQWIVUDLPNPM-JXAWBTAJSA-N
MW308.16 g/mol
LogP4.29
Rot. Bonds3

About methyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate

methyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate (PubChem CID 88699654) has the molecular formula C15H11Cl2NO2 and a molecular weight of 308.16 g/mol. Its IUPAC name is methyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate
PubChem CID88699654
Molecular FormulaC15H11Cl2NO2
Molecular Weight308.16 g/mol
Exact Mass307.02
IUPAC Namemethyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate
SMILESCOC(=O)/C(=N\c1cc(Cl)cc(Cl)c1)c1ccccc1
InChIInChI=1S/C15H11Cl2NO2/c1-20-15(19)14(10-5-3-2-4-6-10)18-13-8-11(16)7-12(17)9-13/h2-9H,1H3/b18-14-
InChIKeyMDSQWIVUDLPNPM-JXAWBTAJSA-N
XLogP4.29
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.16
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
N'-(3,5-dichlorophenyl)-N-hydroxybenzenecarboximidamide
CID 3813981
methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate
CID 15416041
propan-2-yl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 102078697
methyl 2-(4-fluorophenyl)-2-(4-methoxyphenyl)iminoacetate
CID 135079465
methyl (Z)-3-bromo-2-(methylideneamino)-3-phenylprop-2-enoate
CID 15192270
methyl (2E)-2-hydroxyimino-2-(3-phenoxyphenyl)acetate
CID 22344585
methyl (2E)-2-(3-methylpentan-3-yloxyimino)-2-phenylacetate;methyl (2Z)-2-(3-methylpentan-3-yloxyimino)-2-phenylacetate
CID 159710722
[5-chloro-2-(methoxyamino)phenyl]-phenylmethanone
CID 145356956
methyl (E)-3-(3-chlorophenyl)-2-phenylprop-2-enoate
CID 25192532
methyl 2-oxo-2-phenylacetate;nitroxyl
CID 172720309
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate?
The IUPAC name of methyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate (CID 88699654) is methyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate.
What is the SMILES notation for methyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate?
The canonical SMILES for methyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate is COC(=O)/C(=N\c1cc(Cl)cc(Cl)c1)c1ccccc1.
What is the InChIKey of methyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate?
The InChIKey is MDSQWIVUDLPNPM-JXAWBTAJSA-N. The full InChI is InChI=1S/C15H11Cl2NO2/c1-20-15(19)14(10-5-3-2-4-6-10)18-13-8-11(16)7-12(17)9-13/h2-9H,1H3/b18-14-.
What are the key properties of methyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate?
methyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate has a molecular weight of 308.16 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dichlorophenyl)imino-2-phenylacetate is sourced from PubChem (CID 88699654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).