N-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide

C15H18FNO2 — CID 47024485

IUPACN-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H18FNO2/c1-19-14-8-11(16)4-5-13(14)17-15(18)12-7-9-2-3-10(12)6-9/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,17,18)
InChIKeySTRKJASSVYPZNQ-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.21
Rot. Bonds3

About N-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 47024485) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID47024485
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC NameN-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)C1CC2CCC1C2
InChIInChI=1S/C15H18FNO2/c1-19-14-8-11(16)4-5-13(14)17-15(18)12-7-9-2-3-10(12)6-9/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,17,18)
InChIKeySTRKJASSVYPZNQ-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 103753355
N-(2-cyano-4-fluorophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 79947681
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358
(1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878071
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-4-methoxybenzoic acid
CID 115411168
(1S,2R,4S)-N-[3-(methanesulfonamido)-4-methoxyphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98785794
(1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939210
methyl 3-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-4-methylbenzoate
CID 98434592
1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 55653512
2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]-5-methylbenzoic acid
CID 98115664
(2S)-N-(4-fluoro-2-methoxyphenyl)oxolane-2-carboxamide
CID 32608102
(2R,5S)-5-[(4-fluoro-2-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945091

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 47024485) is N-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide is COc1cc(F)ccc1NC(=O)C1CC2CCC1C2.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is STRKJASSVYPZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-19-14-8-11(16)4-5-13(14)17-15(18)12-7-9-2-3-10(12)6-9/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,17,18).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 263.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 47024485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).