[3-[(4-chlorophenyl)carbamoyl]naphthalen-1-yl] acetate

C19H14ClNO3 — CID 736311

IUPAC[3-[(4-chlorophenyl)carbamoyl]naphthalen-1-yl] acetate
SMILESCC(=O)Oc1cc(C(=O)Nc2ccc(Cl)cc2)cc2ccccc12
InChIInChI=1S/C19H14ClNO3/c1-12(22)24-18-11-14(10-13-4-2-3-5-17(13)18)19(23)21-16-8-6-15(20)7-9-16/h2-11H,1H3,(H,21,23)
InChIKeyNFFLURNUCKFRNT-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.67
Rot. Bonds3

About [3-[(4-chlorophenyl)carbamoyl]naphthalen-1-yl] acetate

[3-[(4-chlorophenyl)carbamoyl]naphthalen-1-yl] acetate (PubChem CID 736311) has the molecular formula C19H14ClNO3 and a molecular weight of 339.78 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)carbamoyl]naphthalen-1-yl] acetate.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)carbamoyl]naphthalen-1-yl] acetate
PubChem CID736311
Molecular FormulaC19H14ClNO3
Molecular Weight339.78 g/mol
Exact Mass339.07
IUPAC Name[3-[(4-chlorophenyl)carbamoyl]naphthalen-1-yl] acetate
SMILESCC(=O)Oc1cc(C(=O)Nc2ccc(Cl)cc2)cc2ccccc12
InChIInChI=1S/C19H14ClNO3/c1-12(22)24-18-11-14(10-13-4-2-3-5-17(13)18)19(23)21-16-8-6-15(20)7-9-16/h2-11H,1H3,(H,21,23)
InChIKeyNFFLURNUCKFRNT-UHFFFAOYSA-N
XLogP4.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)carbamoyl]naphthalen-1-yl] acetate?
The IUPAC name of [3-[(4-chlorophenyl)carbamoyl]naphthalen-1-yl] acetate (CID 736311) is [3-[(4-chlorophenyl)carbamoyl]naphthalen-1-yl] acetate.
What is the SMILES notation for [3-[(4-chlorophenyl)carbamoyl]naphthalen-1-yl] acetate?
The canonical SMILES for [3-[(4-chlorophenyl)carbamoyl]naphthalen-1-yl] acetate is CC(=O)Oc1cc(C(=O)Nc2ccc(Cl)cc2)cc2ccccc12.
What is the InChIKey of [3-[(4-chlorophenyl)carbamoyl]naphthalen-1-yl] acetate?
The InChIKey is NFFLURNUCKFRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3/c1-12(22)24-18-11-14(10-13-4-2-3-5-17(13)18)19(23)21-16-8-6-15(20)7-9-16/h2-11H,1H3,(H,21,23).
What are the key properties of [3-[(4-chlorophenyl)carbamoyl]naphthalen-1-yl] acetate?
[3-[(4-chlorophenyl)carbamoyl]naphthalen-1-yl] acetate has a molecular weight of 339.78 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)carbamoyl]naphthalen-1-yl] acetate is sourced from PubChem (CID 736311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).