N-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C15H17F2NO2 — CID 47124860

IUPACN-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)C1CC2CCC1C2
InChIInChI=1S/C15H17F2NO2/c16-15(17)20-12-5-3-11(4-6-12)18-14(19)13-8-9-1-2-10(13)7-9/h3-6,9-10,13,15H,1-2,7-8H2,(H,18,19)
InChIKeyQGAUXBDKEQOOHS-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.66
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 47124860) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID47124860
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC NameN-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)C1CC2CCC1C2
InChIInChI=1S/C15H17F2NO2/c16-15(17)20-12-5-3-11(4-6-12)18-14(19)13-8-9-1-2-10(13)7-9/h3-6,9-10,13,15H,1-2,7-8H2,(H,18,19)
InChIKeyQGAUXBDKEQOOHS-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939210
(1R,2R,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 839866
(1S,2S,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7101788
(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209
N-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47124816
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51261801
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 7041388
(1S,2R,4S)-N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 6952943
N-[4-(2-bromoethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 114310290
N-(3-fluoro-4-propan-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 167232925
9-amino-N-[4-(difluoromethoxy)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983579
(1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7102723

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 47124860) is N-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)C1CC2CCC1C2.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QGAUXBDKEQOOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c16-15(17)20-12-5-3-11(4-6-12)18-14(19)13-8-9-1-2-10(13)7-9/h3-6,9-10,13,15H,1-2,7-8H2,(H,18,19).
What are the key properties of N-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 281.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 47124860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).