N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene

C20H16F3NO3 — CID 88607417

IUPACN-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene
SMILESCOc1ccc2ccccc2c1C(F)(F)F.O=CNC(=O)c1ccccc1
InChIInChI=1S/C12H9F3O.C8H7NO2/c1-16-10-7-6-8-4-2-3-5-9(8)11(10)12(13,14)15;10-6-9-8(11)7-4-2-1-3-5-7/h2-7H,1H3;1-6H,(H,9,10,11)
InChIKeyZLMVOIFTITXNLM-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.44
Rot. Bonds3

About N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene

N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene (PubChem CID 88607417) has the molecular formula C20H16F3NO3 and a molecular weight of 375.35 g/mol. Its IUPAC name is N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene.

Molecular Properties

Compound NameN-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene
PubChem CID88607417
Molecular FormulaC20H16F3NO3
Molecular Weight375.35 g/mol
Exact Mass375.11
IUPAC NameN-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene
SMILESCOc1ccc2ccccc2c1C(F)(F)F.O=CNC(=O)c1ccccc1
InChIInChI=1S/C12H9F3O.C8H7NO2/c1-16-10-7-6-8-4-2-3-5-9(8)11(10)12(13,14)15;10-6-9-8(11)7-4-2-1-3-5-7/h2-7H,1H3;1-6H,(H,9,10,11)
InChIKeyZLMVOIFTITXNLM-UHFFFAOYSA-N
XLogP4.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene?
The IUPAC name of N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene (CID 88607417) is N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene.
What is the SMILES notation for N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene?
The canonical SMILES for N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene is COc1ccc2ccccc2c1C(F)(F)F.O=CNC(=O)c1ccccc1.
What is the InChIKey of N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene?
The InChIKey is ZLMVOIFTITXNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O.C8H7NO2/c1-16-10-7-6-8-4-2-3-5-9(8)11(10)12(13,14)15;10-6-9-8(11)7-4-2-1-3-5-7/h2-7H,1H3;1-6H,(H,9,10,11).
What are the key properties of N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene?
N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene has a molecular weight of 375.35 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene is sourced from PubChem (CID 88607417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).