ethyl 3-(naphthalen-1-ylamino)benzoate

C19H17NO2 — CID 155541989

IUPACethyl 3-(naphthalen-1-ylamino)benzoate
SMILESCCOC(=O)c1cccc(Nc2cccc3ccccc23)c1
InChIInChI=1S/C19H17NO2/c1-2-22-19(21)15-9-5-10-16(13-15)20-18-12-6-8-14-7-3-4-11-17(14)18/h3-13,20H,2H2,1H3
InChIKeyQDESSNCRKFOSGP-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.76
Rot. Bonds4

About ethyl 3-(naphthalen-1-ylamino)benzoate

ethyl 3-(naphthalen-1-ylamino)benzoate (PubChem CID 155541989) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 3-(naphthalen-1-ylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(naphthalen-1-ylamino)benzoate
PubChem CID155541989
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Nameethyl 3-(naphthalen-1-ylamino)benzoate
SMILESCCOC(=O)c1cccc(Nc2cccc3ccccc23)c1
InChIInChI=1S/C19H17NO2/c1-2-22-19(21)15-9-5-10-16(13-15)20-18-12-6-8-14-7-3-4-11-17(14)18/h3-13,20H,2H2,1H3
InChIKeyQDESSNCRKFOSGP-UHFFFAOYSA-N
XLogP4.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(naphthalen-1-ylamino)benzoate?
The IUPAC name of ethyl 3-(naphthalen-1-ylamino)benzoate (CID 155541989) is ethyl 3-(naphthalen-1-ylamino)benzoate.
What is the SMILES notation for ethyl 3-(naphthalen-1-ylamino)benzoate?
The canonical SMILES for ethyl 3-(naphthalen-1-ylamino)benzoate is CCOC(=O)c1cccc(Nc2cccc3ccccc23)c1.
What is the InChIKey of ethyl 3-(naphthalen-1-ylamino)benzoate?
The InChIKey is QDESSNCRKFOSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-2-22-19(21)15-9-5-10-16(13-15)20-18-12-6-8-14-7-3-4-11-17(14)18/h3-13,20H,2H2,1H3.
What are the key properties of ethyl 3-(naphthalen-1-ylamino)benzoate?
ethyl 3-(naphthalen-1-ylamino)benzoate has a molecular weight of 291.35 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(naphthalen-1-ylamino)benzoate is sourced from PubChem (CID 155541989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).