3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C15H17F3N2O2 — CID 119672844

IUPAC3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)22-11-5-3-10(4-6-11)20-14(21)12-8-1-2-9(7-8)13(12)19/h3-6,8-9,12-13H,1-2,7,19H2,(H,20,21)
InChIKeyUWORKKYDPCTIFR-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.90
Rot. Bonds3

About 3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119672844) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119672844
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H17F3N2O2/c16-15(17,18)22-11-5-3-10(4-6-11)20-14(21)12-8-1-2-9(7-8)13(12)19/h3-6,8-9,12-13H,1-2,7,19H2,(H,20,21)
InChIKeyUWORKKYDPCTIFR-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(2-methoxyphenoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119697295
3-amino-N-[4-(phenylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756435
2-amino-N-[4-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 64818115
3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119684897
methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate
CID 119775677
N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide
CID 4878412
(1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163395688
(1R,2S,3R,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163396159
3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119714116
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 120666068
3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119740941
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
CID 119702825

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119672844) is 3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is UWORKKYDPCTIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c16-15(17,18)22-11-5-3-10(4-6-11)20-14(21)12-8-1-2-9(7-8)13(12)19/h3-6,8-9,12-13H,1-2,7,19H2,(H,20,21).
What are the key properties of 3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 314.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119672844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).