methyl 3-(naphthalen-2-ylcarbamoyl)benzoate

C19H15NO3 — CID 17232043

IUPACmethyl 3-(naphthalen-2-ylcarbamoyl)benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H15NO3/c1-23-19(22)16-8-4-7-15(11-16)18(21)20-17-10-9-13-5-2-3-6-14(13)12-17/h2-12H,1H3,(H,20,21)
InChIKeyDPLKZHAGPQZCFN-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.88
Rot. Bonds3

About methyl 3-(naphthalen-2-ylcarbamoyl)benzoate

methyl 3-(naphthalen-2-ylcarbamoyl)benzoate (PubChem CID 17232043) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl 3-(naphthalen-2-ylcarbamoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(naphthalen-2-ylcarbamoyl)benzoate
PubChem CID17232043
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Namemethyl 3-(naphthalen-2-ylcarbamoyl)benzoate
SMILESCOC(=O)c1cccc(C(=O)Nc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H15NO3/c1-23-19(22)16-8-4-7-15(11-16)18(21)20-17-10-9-13-5-2-3-6-14(13)12-17/h2-12H,1H3,(H,20,21)
InChIKeyDPLKZHAGPQZCFN-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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Related Compounds

methyl 3-[(4-acetamidophenyl)carbamoyl]benzoate
CID 17175145
methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 17175176
methyl 3-[[4-(propanoylamino)phenyl]carbamoyl]benzoate
CID 17204969
N-(3-acetylphenyl)naphthalene-2-carboxamide
CID 2274462
methyl 4-[(3-hydroxybenzoyl)amino]benzoate
CID 43404225
ethane;methyl naphthalene-2-carboxylate
CID 143895262
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
methyl 3-[2-[3-[(3-methoxycarbonylbenzoyl)amino]phenyl]ethynyl]benzoate
CID 55758820
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
4-ethyl-N-naphthalen-2-ylbenzamide
CID 5108081
methyl 3-[(4-nitrophenyl)carbamoyl]benzoate
CID 17175216
4-(2-methoxyethoxy)-N-naphthalen-2-ylbenzamide
CID 17232007

Frequently Asked Questions

What is the IUPAC name of methyl 3-(naphthalen-2-ylcarbamoyl)benzoate?
The IUPAC name of methyl 3-(naphthalen-2-ylcarbamoyl)benzoate (CID 17232043) is methyl 3-(naphthalen-2-ylcarbamoyl)benzoate.
What is the SMILES notation for methyl 3-(naphthalen-2-ylcarbamoyl)benzoate?
The canonical SMILES for methyl 3-(naphthalen-2-ylcarbamoyl)benzoate is COC(=O)c1cccc(C(=O)Nc2ccc3ccccc3c2)c1.
What is the InChIKey of methyl 3-(naphthalen-2-ylcarbamoyl)benzoate?
The InChIKey is DPLKZHAGPQZCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-23-19(22)16-8-4-7-15(11-16)18(21)20-17-10-9-13-5-2-3-6-14(13)12-17/h2-12H,1H3,(H,20,21).
What are the key properties of methyl 3-(naphthalen-2-ylcarbamoyl)benzoate?
methyl 3-(naphthalen-2-ylcarbamoyl)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 3-(naphthalen-2-ylcarbamoyl)benzoate is sourced from PubChem (CID 17232043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).