methyl 4-(naphthalene-2-carbonylamino)benzoate

C19H15NO3 — CID 7719471

IUPACmethyl 4-(naphthalene-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H15NO3/c1-23-19(22)14-8-10-17(11-9-14)20-18(21)16-7-6-13-4-2-3-5-15(13)12-16/h2-12H,1H3,(H,20,21)
InChIKeyGJMLGYXXCNTIRW-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.88
Rot. Bonds3

About methyl 4-(naphthalene-2-carbonylamino)benzoate

methyl 4-(naphthalene-2-carbonylamino)benzoate (PubChem CID 7719471) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl 4-(naphthalene-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(naphthalene-2-carbonylamino)benzoate
PubChem CID7719471
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Namemethyl 4-(naphthalene-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H15NO3/c1-23-19(22)14-8-10-17(11-9-14)20-18(21)16-7-6-13-4-2-3-5-15(13)12-16/h2-12H,1H3,(H,20,21)
InChIKeyGJMLGYXXCNTIRW-UHFFFAOYSA-N
XLogP3.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(naphthalene-2-carbonylamino)benzoate?
The IUPAC name of methyl 4-(naphthalene-2-carbonylamino)benzoate (CID 7719471) is methyl 4-(naphthalene-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-(naphthalene-2-carbonylamino)benzoate?
The canonical SMILES for methyl 4-(naphthalene-2-carbonylamino)benzoate is COC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of methyl 4-(naphthalene-2-carbonylamino)benzoate?
The InChIKey is GJMLGYXXCNTIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-23-19(22)14-8-10-17(11-9-14)20-18(21)16-7-6-13-4-2-3-5-15(13)12-16/h2-12H,1H3,(H,20,21).
What are the key properties of methyl 4-(naphthalene-2-carbonylamino)benzoate?
methyl 4-(naphthalene-2-carbonylamino)benzoate has a molecular weight of 305.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(naphthalene-2-carbonylamino)benzoate is sourced from PubChem (CID 7719471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).