N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide

C16H15F3N2O2 — CID 87170460

IUPACN-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide
SMILESCCON=C(CNC(=O)c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C16H15F3N2O2/c1-2-23-21-14(16(17,18)19)10-20-15(22)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeyKWFQKQIPHHDWKT-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.52
Rot. Bonds5

About N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide

N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide (PubChem CID 87170460) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide
PubChem CID87170460
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC NameN-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide
SMILESCCON=C(CNC(=O)c1cccc2ccccc12)C(F)(F)F
InChIInChI=1S/C16H15F3N2O2/c1-2-23-21-14(16(17,18)19)10-20-15(22)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeyKWFQKQIPHHDWKT-UHFFFAOYSA-N
XLogP3.52
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 42599459
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CID 66865191
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CID 44359681
CID 44359681
CID 44581570
CID 44581570
CID 127040580
CID 127040580
CID 127040581
CID 127040581
CID 36130
CID 36130
CID 39643
CID 39643
CID 11475738
CID 11475738
CID 42598709
CID 42598709

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide (CID 87170460) is N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide is CCON=C(CNC(=O)c1cccc2ccccc12)C(F)(F)F.
What is the InChIKey of N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide?
The InChIKey is KWFQKQIPHHDWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-2-23-21-14(16(17,18)19)10-20-15(22)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,2,10H2,1H3,(H,20,22).
What are the key properties of N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide?
N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide has a molecular weight of 324.30 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyimino-3,3,3-trifluoropropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 87170460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).