N-[[5-(4-fluorophenyl)oxan-3-yl]methyl]-N-methylacetamide;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene

C24H25F7N2O3 — CID 143245899

IUPACN-[[5-(4-fluorophenyl)oxan-3-yl]methyl]-N-methylacetamide;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene
SMILESCC(=O)N(C)CC1COCC(c2ccc(F)cc2)C1.O=NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H20FNO2.C9H5F6NO/c1-11(18)17(2)8-12-7-14(10-19-9-12)13-3-5-15(16)6-4-13;10-8(11,12)6-1-5(4-16-17)2-7(3-6)9(13,14)15/h3-6,12,14H,7-10H2,1-2H3;1-3H,4H2
InChIKeyBDCPGGVRFOSAJR-UHFFFAOYSA-N
MW522.46 g/mol
LogP6.41
Rot. Bonds5

About N-[[5-(4-fluorophenyl)oxan-3-yl]methyl]-N-methylacetamide;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene

N-[[5-(4-fluorophenyl)oxan-3-yl]methyl]-N-methylacetamide;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene (PubChem CID 143245899) has the molecular formula C24H25F7N2O3 and a molecular weight of 522.46 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)oxan-3-yl]methyl]-N-methylacetamide;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)oxan-3-yl]methyl]-N-methylacetamide;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene
PubChem CID143245899
Molecular FormulaC24H25F7N2O3
Molecular Weight522.46 g/mol
Exact Mass522.18
IUPAC NameN-[[5-(4-fluorophenyl)oxan-3-yl]methyl]-N-methylacetamide;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene
SMILESCC(=O)N(C)CC1COCC(c2ccc(F)cc2)C1.O=NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H20FNO2.C9H5F6NO/c1-11(18)17(2)8-12-7-14(10-19-9-12)13-3-5-15(16)6-4-13;10-8(11,12)6-1-5(4-16-17)2-7(3-6)9(13,14)15/h3-6,12,14H,7-10H2,1-2H3;1-3H,4H2
InChIKeyBDCPGGVRFOSAJR-UHFFFAOYSA-N
XLogP6.41
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.46
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[5-(4-fluorophenyl)oxan-3-yl]methyl]-N-methylacetamide;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)oxan-3-yl]methyl]-N-methylacetamide;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of N-[[5-(4-fluorophenyl)oxan-3-yl]methyl]-N-methylacetamide;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene (CID 143245899) is N-[[5-(4-fluorophenyl)oxan-3-yl]methyl]-N-methylacetamide;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for N-[[5-(4-fluorophenyl)oxan-3-yl]methyl]-N-methylacetamide;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for N-[[5-(4-fluorophenyl)oxan-3-yl]methyl]-N-methylacetamide;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene is CC(=O)N(C)CC1COCC(c2ccc(F)cc2)C1.O=NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[5-(4-fluorophenyl)oxan-3-yl]methyl]-N-methylacetamide;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene?
The InChIKey is BDCPGGVRFOSAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2.C9H5F6NO/c1-11(18)17(2)8-12-7-14(10-19-9-12)13-3-5-15(16)6-4-13;10-8(11,12)6-1-5(4-16-17)2-7(3-6)9(13,14)15/h3-6,12,14H,7-10H2,1-2H3;1-3H,4H2.
What are the key properties of N-[[5-(4-fluorophenyl)oxan-3-yl]methyl]-N-methylacetamide;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene?
N-[[5-(4-fluorophenyl)oxan-3-yl]methyl]-N-methylacetamide;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene has a molecular weight of 522.46 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)oxan-3-yl]methyl]-N-methylacetamide;1-(nitrosomethyl)-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 143245899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).