methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate

C20H17NO3 — CID 70091613

IUPACmethyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate
SMILESCOC(=O)Cc1cccc(NC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H17NO3/c1-24-19(22)12-14-5-4-8-18(11-14)21-20(23)17-10-9-15-6-2-3-7-16(15)13-17/h2-11,13H,12H2,1H3,(H,21,23)
InChIKeyCLHMPOCLSABULS-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.81
Rot. Bonds4

About methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate

methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate (PubChem CID 70091613) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate
PubChem CID70091613
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Namemethyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate
SMILESCOC(=O)Cc1cccc(NC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H17NO3/c1-24-19(22)12-14-5-4-8-18(11-14)21-20(23)17-10-9-15-6-2-3-7-16(15)13-17/h2-11,13H,12H2,1H3,(H,21,23)
InChIKeyCLHMPOCLSABULS-UHFFFAOYSA-N
XLogP3.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate
CID 19318440
N-(3-acetylphenyl)naphthalene-2-carboxamide
CID 2274462
N-[3-[[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]naphthalene-2-carboxamide
CID 44536805
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
methyl 2-[3-[[5-(4-methoxyphenyl)furan-2-carbonyl]amino]phenyl]acetate
CID 59654703
methyl 2-[4,6-dichloro-2-[[4-(naphthalene-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetate;propane
CID 142959777
N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide
CID 1366118
methyl 3-(naphthalen-2-ylcarbamoyl)benzoate
CID 17232043
ethyl 3-[3-[[5-methyl-2-(naphthalene-2-carbonylamino)benzoyl]amino]phenyl]propanoate
CID 138491883
N-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxamide
CID 7741667
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-[3-(diethylsulfamoyl)phenyl]naphthalene-2-carboxamide
CID 7760022

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate?
The IUPAC name of methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate (CID 70091613) is methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate.
What is the SMILES notation for methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate?
The canonical SMILES for methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate is COC(=O)Cc1cccc(NC(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate?
The InChIKey is CLHMPOCLSABULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-24-19(22)12-14-5-4-8-18(11-14)21-20(23)17-10-9-15-6-2-3-7-16(15)13-17/h2-11,13H,12H2,1H3,(H,21,23).
What are the key properties of methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate?
methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate has a molecular weight of 319.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate is sourced from PubChem (CID 70091613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).