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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Related Compounds

1-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-3-ethylurea
CID 61317348
3-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79153893
N-(4-carbamothioyl-2-fluorophenyl)-5-methyloxolane-3-carboxamide
CID 114825640
N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide
CID 104517140
5-methyl-2-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
CID 114824330
N-[2-(3-aminoprop-1-ynyl)-5-methylphenyl]-5-methyloxolane-3-carboxamide
CID 114826639
N-(6-amino-1,3-benzodioxol-5-yl)-5-methyloxolane-3-carboxamide
CID 114824227
N-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 62905996
N-[4-bromo-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-5-methyloxolane-3-carboxamide
CID 114827094
N-(2-chloro-4-cyanophenyl)-5-methyloxolane-3-carboxamide
CID 102676300
N-(2-amino-2-ethylbutyl)-5-methyloxolane-3-carboxamide
CID 114826466
N-[3-(bromomethyl)phenyl]-5-methyloxolane-3-carboxamide
CID 114823258

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).