methane;methyl 4-anilinobenzoate

C15H17NO2 — CID 160948347

IUPACmethane;methyl 4-anilinobenzoate
SMILESC.COC(=O)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C14H13NO2.CH4/c1-17-14(16)11-7-9-13(10-8-11)15-12-5-3-2-4-6-12;/h2-10,15H,1H3;1H4
InChIKeySVKMBOSKEYQPLD-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.85
Rot. Bonds3

About methane;methyl 4-anilinobenzoate

methane;methyl 4-anilinobenzoate (PubChem CID 160948347) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is methane;methyl 4-anilinobenzoate.

Molecular Properties

Compound Namemethane;methyl 4-anilinobenzoate
PubChem CID160948347
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namemethane;methyl 4-anilinobenzoate
SMILESC.COC(=O)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C14H13NO2.CH4/c1-17-14(16)11-7-9-13(10-8-11)15-12-5-3-2-4-6-12;/h2-10,15H,1H3;1H4
InChIKeySVKMBOSKEYQPLD-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 157228504
methyl benzoate;hydrate
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ethane;methoxymethane;methyl benzoate
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[4-(4-anilinoanilino)phenyl] benzoate
CID 19763264
methyl 4-[(2-anilino-6-methylpyrimidin-4-yl)amino]benzoate
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methyl 4-[(6-benzamido-3-pyridinyl)amino]benzoate
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anisole;methyl 4-methoxybenzoate
CID 158093995
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CID 142226695
methyl 4-(1-phenylethylamino)benzoate
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methyl benzoate azide
CID 161139797

Frequently Asked Questions

What is the IUPAC name of methane;methyl 4-anilinobenzoate?
The IUPAC name of methane;methyl 4-anilinobenzoate (CID 160948347) is methane;methyl 4-anilinobenzoate.
What is the SMILES notation for methane;methyl 4-anilinobenzoate?
The canonical SMILES for methane;methyl 4-anilinobenzoate is C.COC(=O)c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of methane;methyl 4-anilinobenzoate?
The InChIKey is SVKMBOSKEYQPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2.CH4/c1-17-14(16)11-7-9-13(10-8-11)15-12-5-3-2-4-6-12;/h2-10,15H,1H3;1H4.
What are the key properties of methane;methyl 4-anilinobenzoate?
methane;methyl 4-anilinobenzoate has a molecular weight of 243.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 4-anilinobenzoate is sourced from PubChem (CID 160948347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).