methyl 2-(C-chloro-N-phenylcarbonimidoyl)oxybenzoate

C15H12ClNO3 — CID 134871185

IUPACmethyl 2-(C-chloro-N-phenylcarbonimidoyl)oxybenzoate
SMILESCOC(=O)c1ccccc1O/C(Cl)=N/c1ccccc1
InChIInChI=1S/C15H12ClNO3/c1-19-14(18)12-9-5-6-10-13(12)20-15(16)17-11-7-3-2-4-8-11/h2-10H,1H3/b17-15+
InChIKeyKXFWCNBIDMEIGX-BMRADRMJSA-N
MW289.72 g/mol
LogP3.78
Rot. Bonds3

About methyl 2-(C-chloro-N-phenylcarbonimidoyl)oxybenzoate

methyl 2-(C-chloro-N-phenylcarbonimidoyl)oxybenzoate (PubChem CID 134871185) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is methyl 2-(C-chloro-N-phenylcarbonimidoyl)oxybenzoate.

Molecular Properties

Compound Namemethyl 2-(C-chloro-N-phenylcarbonimidoyl)oxybenzoate
PubChem CID134871185
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Namemethyl 2-(C-chloro-N-phenylcarbonimidoyl)oxybenzoate
SMILESCOC(=O)c1ccccc1O/C(Cl)=N/c1ccccc1
InChIInChI=1S/C15H12ClNO3/c1-19-14(18)12-9-5-6-10-13(12)20-15(16)17-11-7-3-2-4-8-11/h2-10H,1H3/b17-15+
InChIKeyKXFWCNBIDMEIGX-BMRADRMJSA-N
XLogP3.78
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-(C-chloro-N-phenylcarbonimidoyl)oxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2-chloropropanoyloxy)benzoate
CID 151617516
methyl 2-(2,2,2-trideuterioacetyl)oxybenzoate
CID 165349199
methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate
CID 69027946
ethane;methyl 2-methoxybenzoate
CID 178037044
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-butanoyloxybenzoate
CID 836876
ethane;methyl 2-(dimethylcarbamothioyloxy)benzoate
CID 142024449
methyl 2-[(E)-3-phenylprop-2-enoyl]oxybenzoate
CID 6232774
4-(2-methoxycarbonylphenoxy)-2-methylidene-4-oxobutanoic acid
CID 91321141
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate
CID 12930619

Frequently Asked Questions

What is the IUPAC name of methyl 2-(C-chloro-N-phenylcarbonimidoyl)oxybenzoate?
The IUPAC name of methyl 2-(C-chloro-N-phenylcarbonimidoyl)oxybenzoate (CID 134871185) is methyl 2-(C-chloro-N-phenylcarbonimidoyl)oxybenzoate.
What is the SMILES notation for methyl 2-(C-chloro-N-phenylcarbonimidoyl)oxybenzoate?
The canonical SMILES for methyl 2-(C-chloro-N-phenylcarbonimidoyl)oxybenzoate is COC(=O)c1ccccc1O/C(Cl)=N/c1ccccc1.
What is the InChIKey of methyl 2-(C-chloro-N-phenylcarbonimidoyl)oxybenzoate?
The InChIKey is KXFWCNBIDMEIGX-BMRADRMJSA-N. The full InChI is InChI=1S/C15H12ClNO3/c1-19-14(18)12-9-5-6-10-13(12)20-15(16)17-11-7-3-2-4-8-11/h2-10H,1H3/b17-15+.
What are the key properties of methyl 2-(C-chloro-N-phenylcarbonimidoyl)oxybenzoate?
methyl 2-(C-chloro-N-phenylcarbonimidoyl)oxybenzoate has a molecular weight of 289.72 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(C-chloro-N-phenylcarbonimidoyl)oxybenzoate is sourced from PubChem (CID 134871185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).