N-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethyloxane-4-carboxamide

C15H19ClFNO2 — CID 74250537

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethyloxane-4-carboxamide
SMILESCC1(C)CC(C(=O)NCc2cccc(Cl)c2F)CCO1
InChIInChI=1S/C15H19ClFNO2/c1-15(2)8-10(6-7-20-15)14(19)18-9-11-4-3-5-12(16)13(11)17/h3-5,10H,6-9H2,1-2H3,(H,18,19)
InChIKeyLFYMETCCSFGIFC-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.30
Rot. Bonds3

About N-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethyloxane-4-carboxamide

N-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethyloxane-4-carboxamide (PubChem CID 74250537) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethyloxane-4-carboxamide
PubChem CID74250537
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethyloxane-4-carboxamide
SMILESCC1(C)CC(C(=O)NCc2cccc(Cl)c2F)CCO1
InChIInChI=1S/C15H19ClFNO2/c1-15(2)8-10(6-7-20-15)14(19)18-9-11-4-3-5-12(16)13(11)17/h3-5,10H,6-9H2,1-2H3,(H,18,19)
InChIKeyLFYMETCCSFGIFC-UHFFFAOYSA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethyloxane-4-carboxamide?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethyloxane-4-carboxamide (CID 74250537) is N-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethyloxane-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethyloxane-4-carboxamide?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethyloxane-4-carboxamide is CC1(C)CC(C(=O)NCc2cccc(Cl)c2F)CCO1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethyloxane-4-carboxamide?
The InChIKey is LFYMETCCSFGIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-15(2)8-10(6-7-20-15)14(19)18-9-11-4-3-5-12(16)13(11)17/h3-5,10H,6-9H2,1-2H3,(H,18,19).
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethyloxane-4-carboxamide?
N-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethyloxane-4-carboxamide has a molecular weight of 299.77 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-2,2-dimethyloxane-4-carboxamide is sourced from PubChem (CID 74250537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).