N-[(3-fluorophenyl)-phenylmethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C20H20FNO2 — CID 71972263

IUPACN-[(3-fluorophenyl)-phenylmethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1cccc(F)c1)C1CC2CCC1O2
InChIInChI=1S/C20H20FNO2/c21-15-8-4-7-14(11-15)19(13-5-2-1-3-6-13)22-20(23)17-12-16-9-10-18(17)24-16/h1-8,11,16-19H,9-10,12H2,(H,22,23)
InChIKeyNYFKOUFFNMKSBZ-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.60
Rot. Bonds4

About N-[(3-fluorophenyl)-phenylmethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-[(3-fluorophenyl)-phenylmethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 71972263) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-phenylmethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-phenylmethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID71972263
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC NameN-[(3-fluorophenyl)-phenylmethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC(c1ccccc1)c1cccc(F)c1)C1CC2CCC1O2
InChIInChI=1S/C20H20FNO2/c21-15-8-4-7-14(11-15)19(13-5-2-1-3-6-13)22-20(23)17-12-16-9-10-18(17)24-16/h1-8,11,16-19H,9-10,12H2,(H,22,23)
InChIKeyNYFKOUFFNMKSBZ-UHFFFAOYSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-Fluorobenzyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 2887219
N-(1-benzyl-3-methylpiperidin-4-yl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71862154
N-[(2,2-dimethyl-3-phenylcyclopropyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 71909903
N-[(4-fluorophenyl)methyl]-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 72125524
N-[(1-benzylcyclobutyl)methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 75379214
N-[1-(3-fluoro-4-methylphenyl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 132282953
(1R,2S,3S,4S)-3-[(4-fluorophenyl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 737597
(2R,3R)-N-benzyl-3-cyclohexyloxy-2-(3-fluorophenyl)pent-4-enamide
CID 164579278
(2R,3R)-N-benzyl-3-cyclohexyloxy-2-(3,4-difluorophenyl)pent-4-enamide
CID 164579282
2-[(2R)-6,6-dimethyloxan-2-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 101220003
(1S,2S,3S,4R)-3-[(4-fluorophenyl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 1371842
3-[(4-Fluorophenyl)methylcarbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 4162895

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-phenylmethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)-phenylmethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 71972263) is N-[(3-fluorophenyl)-phenylmethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)-phenylmethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)-phenylmethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is O=C(NC(c1ccccc1)c1cccc(F)c1)C1CC2CCC1O2.
What is the InChIKey of N-[(3-fluorophenyl)-phenylmethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is NYFKOUFFNMKSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c21-15-8-4-7-14(11-15)19(13-5-2-1-3-6-13)22-20(23)17-12-16-9-10-18(17)24-16/h1-8,11,16-19H,9-10,12H2,(H,22,23).
What are the key properties of N-[(3-fluorophenyl)-phenylmethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-[(3-fluorophenyl)-phenylmethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-phenylmethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 71972263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).