N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-5-methyloxolane-3-carboxamide

C14H17F3N2O2 — CID 114824152

IUPACN-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)Nc2ccc(CN)cc2C(F)(F)F)CO1
InChIInChI=1S/C14H17F3N2O2/c1-8-4-10(7-21-8)13(20)19-12-3-2-9(6-18)5-11(12)14(15,16)17/h2-3,5,8,10H,4,6-7,18H2,1H3,(H,19,20)
InChIKeyQPOVLZPCOBYFKI-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.53
Rot. Bonds3

About N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-5-methyloxolane-3-carboxamide

N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-5-methyloxolane-3-carboxamide (PubChem CID 114824152) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-5-methyloxolane-3-carboxamide
PubChem CID114824152
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)Nc2ccc(CN)cc2C(F)(F)F)CO1
InChIInChI=1S/C14H17F3N2O2/c1-8-4-10(7-21-8)13(20)19-12-3-2-9(6-18)5-11(12)14(15,16)17/h2-3,5,8,10H,4,6-7,18H2,1H3,(H,19,20)
InChIKeyQPOVLZPCOBYFKI-UHFFFAOYSA-N
XLogP2.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-5-methyloxolane-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-5-methyloxolane-3-carboxamide (CID 114824152) is N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-5-methyloxolane-3-carboxamide is CC1CC(C(=O)Nc2ccc(CN)cc2C(F)(F)F)CO1.
What is the InChIKey of N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-5-methyloxolane-3-carboxamide?
The InChIKey is QPOVLZPCOBYFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-8-4-10(7-21-8)13(20)19-12-3-2-9(6-18)5-11(12)14(15,16)17/h2-3,5,8,10H,4,6-7,18H2,1H3,(H,19,20).
What are the key properties of N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-5-methyloxolane-3-carboxamide?
N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-5-methyloxolane-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114824152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).