[2-[(2-chlorophenyl)carbamoyl]-4-methoxynaphthalen-1-yl] N-phenylcarbamate

C25H19ClN2O4 — CID 58833963

IUPAC[2-[(2-chlorophenyl)carbamoyl]-4-methoxynaphthalen-1-yl] N-phenylcarbamate
SMILESCOc1cc(C(=O)Nc2ccccc2Cl)c(OC(=O)Nc2ccccc2)c2ccccc12
InChIInChI=1S/C25H19ClN2O4/c1-31-22-15-19(24(29)28-21-14-8-7-13-20(21)26)23(18-12-6-5-11-17(18)22)32-25(30)27-16-9-3-2-4-10-16/h2-15H,1H3,(H,27,30)(H,28,29)
InChIKeyLIANUJITOLBZAM-UHFFFAOYSA-N
MW446.89 g/mol
LogP6.36
Rot. Bonds5

About [2-[(2-chlorophenyl)carbamoyl]-4-methoxynaphthalen-1-yl] N-phenylcarbamate

[2-[(2-chlorophenyl)carbamoyl]-4-methoxynaphthalen-1-yl] N-phenylcarbamate (PubChem CID 58833963) has the molecular formula C25H19ClN2O4 and a molecular weight of 446.89 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)carbamoyl]-4-methoxynaphthalen-1-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)carbamoyl]-4-methoxynaphthalen-1-yl] N-phenylcarbamate
PubChem CID58833963
Molecular FormulaC25H19ClN2O4
Molecular Weight446.89 g/mol
Exact Mass446.10
IUPAC Name[2-[(2-chlorophenyl)carbamoyl]-4-methoxynaphthalen-1-yl] N-phenylcarbamate
SMILESCOc1cc(C(=O)Nc2ccccc2Cl)c(OC(=O)Nc2ccccc2)c2ccccc12
InChIInChI=1S/C25H19ClN2O4/c1-31-22-15-19(24(29)28-21-14-8-7-13-20(21)26)23(18-12-6-5-11-17(18)22)32-25(30)27-16-9-3-2-4-10-16/h2-15H,1H3,(H,27,30)(H,28,29)
InChIKeyLIANUJITOLBZAM-UHFFFAOYSA-N
XLogP6.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.89
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)carbamoyl]-4-methoxynaphthalen-1-yl] N-phenylcarbamate?
The IUPAC name of [2-[(2-chlorophenyl)carbamoyl]-4-methoxynaphthalen-1-yl] N-phenylcarbamate (CID 58833963) is [2-[(2-chlorophenyl)carbamoyl]-4-methoxynaphthalen-1-yl] N-phenylcarbamate.
What is the SMILES notation for [2-[(2-chlorophenyl)carbamoyl]-4-methoxynaphthalen-1-yl] N-phenylcarbamate?
The canonical SMILES for [2-[(2-chlorophenyl)carbamoyl]-4-methoxynaphthalen-1-yl] N-phenylcarbamate is COc1cc(C(=O)Nc2ccccc2Cl)c(OC(=O)Nc2ccccc2)c2ccccc12.
What is the InChIKey of [2-[(2-chlorophenyl)carbamoyl]-4-methoxynaphthalen-1-yl] N-phenylcarbamate?
The InChIKey is LIANUJITOLBZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O4/c1-31-22-15-19(24(29)28-21-14-8-7-13-20(21)26)23(18-12-6-5-11-17(18)22)32-25(30)27-16-9-3-2-4-10-16/h2-15H,1H3,(H,27,30)(H,28,29).
What are the key properties of [2-[(2-chlorophenyl)carbamoyl]-4-methoxynaphthalen-1-yl] N-phenylcarbamate?
[2-[(2-chlorophenyl)carbamoyl]-4-methoxynaphthalen-1-yl] N-phenylcarbamate has a molecular weight of 446.89 g/mol, XLogP of 6.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)carbamoyl]-4-methoxynaphthalen-1-yl] N-phenylcarbamate is sourced from PubChem (CID 58833963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).