N-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

C16H20FNO — CID 47014220

IUPACN-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CC2CCC1C2
InChIInChI=1S/C16H20FNO/c17-15-4-2-1-3-12(15)7-8-18-16(19)14-10-11-5-6-13(14)9-11/h1-4,11,13-14H,5-10H2,(H,18,19)
InChIKeyFJAUZIFAXQREOE-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.92
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

N-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 47014220) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID47014220
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC NameN-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCc1ccccc1F)C1CC2CCC1C2
InChIInChI=1S/C16H20FNO/c17-15-4-2-1-3-12(15)7-8-18-16(19)14-10-11-5-6-13(14)9-11/h1-4,11,13-14H,5-10H2,(H,18,19)
InChIKeyFJAUZIFAXQREOE-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2-fluorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974497
N-(2-benzamidoethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 134046553
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
1-N-[2-(dimethylamino)ethyl]-2-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133659
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132
3,4-bis[2-(2-fluorophenyl)ethylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 154961274
3-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66031268
N-[2-(2-fluorophenyl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131828
2-N-[3-(dimethylamino)propyl]-1-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133984
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
trans-(1S,3S)-3-[2-(2-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552893

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 47014220) is N-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(NCCc1ccccc1F)C1CC2CCC1C2.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is FJAUZIFAXQREOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c17-15-4-2-1-3-12(15)7-8-18-16(19)14-10-11-5-6-13(14)9-11/h1-4,11,13-14H,5-10H2,(H,18,19).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
N-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 261.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 47014220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).