[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2,6-difluoro-4-(hydroxycarbamoyl)phenyl]carbamate

C24H25F2N3O4 — CID 164621113

IUPAC[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2,6-difluoro-4-(hydroxycarbamoyl)phenyl]carbamate
SMILESCCN(CC)Cc1ccc2cc(COC(=O)Nc3c(F)cc(C(=O)NO)cc3F)ccc2c1
InChIInChI=1S/C24H25F2N3O4/c1-3-29(4-2)13-15-5-7-18-10-16(6-8-17(18)9-15)14-33-24(31)27-22-20(25)11-19(12-21(22)26)23(30)28-32/h5-12,32H,3-4,13-14H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyDMVJLNPNMRXUCQ-UHFFFAOYSA-N
MW457.48 g/mol
LogP4.83
Rot. Bonds8

About [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2,6-difluoro-4-(hydroxycarbamoyl)phenyl]carbamate

[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2,6-difluoro-4-(hydroxycarbamoyl)phenyl]carbamate (PubChem CID 164621113) has the molecular formula C24H25F2N3O4 and a molecular weight of 457.48 g/mol. Its IUPAC name is [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2,6-difluoro-4-(hydroxycarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Name[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2,6-difluoro-4-(hydroxycarbamoyl)phenyl]carbamate
PubChem CID164621113
Molecular FormulaC24H25F2N3O4
Molecular Weight457.48 g/mol
Exact Mass457.18
IUPAC Name[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2,6-difluoro-4-(hydroxycarbamoyl)phenyl]carbamate
SMILESCCN(CC)Cc1ccc2cc(COC(=O)Nc3c(F)cc(C(=O)NO)cc3F)ccc2c1
InChIInChI=1S/C24H25F2N3O4/c1-3-29(4-2)13-15-5-7-18-10-16(6-8-17(18)9-15)14-33-24(31)27-22-20(25)11-19(12-21(22)26)23(30)28-32/h5-12,32H,3-4,13-14H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyDMVJLNPNMRXUCQ-UHFFFAOYSA-N
XLogP4.83
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2,6-difluoro-4-(hydroxycarbamoyl)phenyl]carbamate?
The IUPAC name of [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2,6-difluoro-4-(hydroxycarbamoyl)phenyl]carbamate (CID 164621113) is [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2,6-difluoro-4-(hydroxycarbamoyl)phenyl]carbamate.
What is the SMILES notation for [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2,6-difluoro-4-(hydroxycarbamoyl)phenyl]carbamate?
The canonical SMILES for [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2,6-difluoro-4-(hydroxycarbamoyl)phenyl]carbamate is CCN(CC)Cc1ccc2cc(COC(=O)Nc3c(F)cc(C(=O)NO)cc3F)ccc2c1.
What is the InChIKey of [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2,6-difluoro-4-(hydroxycarbamoyl)phenyl]carbamate?
The InChIKey is DMVJLNPNMRXUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O4/c1-3-29(4-2)13-15-5-7-18-10-16(6-8-17(18)9-15)14-33-24(31)27-22-20(25)11-19(12-21(22)26)23(30)28-32/h5-12,32H,3-4,13-14H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2,6-difluoro-4-(hydroxycarbamoyl)phenyl]carbamate?
[6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2,6-difluoro-4-(hydroxycarbamoyl)phenyl]carbamate has a molecular weight of 457.48 g/mol, XLogP of 4.83, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(diethylaminomethyl)naphthalen-2-yl]methyl N-[2,6-difluoro-4-(hydroxycarbamoyl)phenyl]carbamate is sourced from PubChem (CID 164621113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).