3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate

C19H14NO4- — CID 6967346

IUPAC3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate
SMILESO=C(COc1ccc2ccccc2c1)Nc1cccc(C(=O)[O-])c1
InChIInChI=1S/C19H15NO4/c21-18(20-16-7-3-6-15(10-16)19(22)23)12-24-17-9-8-13-4-1-2-5-14(13)11-17/h1-11H,12H2,(H,20,21)(H,22,23)/p-1
InChIKeyFLJQPPPEKBAPHW-UHFFFAOYSA-M
MW320.32 g/mol
LogP2.22
Rot. Bonds5

About 3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate

3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate (PubChem CID 6967346) has the molecular formula C19H14NO4- and a molecular weight of 320.32 g/mol. Its IUPAC name is 3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate.

Molecular Properties

Compound Name3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate
PubChem CID6967346
Molecular FormulaC19H14NO4-
Molecular Weight320.32 g/mol
Exact Mass320.09
IUPAC Name3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate
SMILESO=C(COc1ccc2ccccc2c1)Nc1cccc(C(=O)[O-])c1
InChIInChI=1S/C19H15NO4/c21-18(20-16-7-3-6-15(10-16)19(22)23)12-24-17-9-8-13-4-1-2-5-14(13)11-17/h1-11H,12H2,(H,20,21)(H,22,23)/p-1
InChIKeyFLJQPPPEKBAPHW-UHFFFAOYSA-M
XLogP2.22
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-ethyl-3-[(2-naphthalen-2-yloxyacetyl)amino]benzamide
CID 17230651
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]propanamide
CID 807123
N-(3-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16788601
2-[[3-[(2-naphthalen-2-yloxyacetyl)amino]benzoyl]amino]benzoic acid
CID 1107335
N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 26157869
2-naphthalen-2-yloxy-N-pyridin-4-ylacetamide
CID 823638
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]-3-phenylpropanamide
CID 17222822
N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-naphthalen-2-yloxyacetamide
CID 7314126
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
2-chloro-N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]benzamide
CID 1332229
N-[4-(carbamoylamino)phenyl]-2-naphthalen-2-yloxyacetamide
CID 33152788

Frequently Asked Questions

What is the IUPAC name of 3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate?
The IUPAC name of 3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate (CID 6967346) is 3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate.
What is the SMILES notation for 3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate?
The canonical SMILES for 3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate is O=C(COc1ccc2ccccc2c1)Nc1cccc(C(=O)[O-])c1.
What is the InChIKey of 3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate?
The InChIKey is FLJQPPPEKBAPHW-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15NO4/c21-18(20-16-7-3-6-15(10-16)19(22)23)12-24-17-9-8-13-4-1-2-5-14(13)11-17/h1-11H,12H2,(H,20,21)(H,22,23)/p-1.
What are the key properties of 3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate?
3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate has a molecular weight of 320.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-naphthalen-2-yloxyacetyl)amino]benzoate is sourced from PubChem (CID 6967346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).