methyl 2-[benzoyl(naphthalen-1-yl)amino]benzoate

C25H19NO3 — CID 571198

IUPACmethyl 2-[benzoyl(naphthalen-1-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C(=O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C25H19NO3/c1-29-25(28)21-15-7-8-16-23(21)26(24(27)19-11-3-2-4-12-19)22-17-9-13-18-10-5-6-14-20(18)22/h2-17H,1H3
InChIKeyNKLCKZNCCVQOPH-UHFFFAOYSA-N
MW381.43 g/mol
LogP5.60
Rot. Bonds4

About methyl 2-[benzoyl(naphthalen-1-yl)amino]benzoate

methyl 2-[benzoyl(naphthalen-1-yl)amino]benzoate (PubChem CID 571198) has the molecular formula C25H19NO3 and a molecular weight of 381.43 g/mol. Its IUPAC name is methyl 2-[benzoyl(naphthalen-1-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[benzoyl(naphthalen-1-yl)amino]benzoate
PubChem CID571198
Molecular FormulaC25H19NO3
Molecular Weight381.43 g/mol
Exact Mass381.14
IUPAC Namemethyl 2-[benzoyl(naphthalen-1-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1N(C(=O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C25H19NO3/c1-29-25(28)21-15-7-8-16-23(21)26(24(27)19-11-3-2-4-12-19)22-17-9-13-18-10-5-6-14-20(18)22/h2-17H,1H3
InChIKeyNKLCKZNCCVQOPH-UHFFFAOYSA-N
XLogP5.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzoyl(naphthalen-1-yl)amino]benzoate?
The IUPAC name of methyl 2-[benzoyl(naphthalen-1-yl)amino]benzoate (CID 571198) is methyl 2-[benzoyl(naphthalen-1-yl)amino]benzoate.
What is the SMILES notation for methyl 2-[benzoyl(naphthalen-1-yl)amino]benzoate?
The canonical SMILES for methyl 2-[benzoyl(naphthalen-1-yl)amino]benzoate is COC(=O)c1ccccc1N(C(=O)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of methyl 2-[benzoyl(naphthalen-1-yl)amino]benzoate?
The InChIKey is NKLCKZNCCVQOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO3/c1-29-25(28)21-15-7-8-16-23(21)26(24(27)19-11-3-2-4-12-19)22-17-9-13-18-10-5-6-14-20(18)22/h2-17H,1H3.
What are the key properties of methyl 2-[benzoyl(naphthalen-1-yl)amino]benzoate?
methyl 2-[benzoyl(naphthalen-1-yl)amino]benzoate has a molecular weight of 381.43 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzoyl(naphthalen-1-yl)amino]benzoate is sourced from PubChem (CID 571198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).