(1S,2S,4S)-N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide

C22H24FNO — CID 98785707

IUPAC(1S,2S,4S)-N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)[C@@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H24FNO/c1-24(22(25)20-14-15-7-8-18(20)13-15)21(16-5-3-2-4-6-16)17-9-11-19(23)12-10-17/h2-6,9-12,15,18,20-21H,7-8,13-14H2,1H3/t15-,18-,20-,21-/m0/s1
InChIKeyIYBCCUAWIHSZMS-HGWQEYRNSA-N
MW337.44 g/mol
LogP4.81
Rot. Bonds4

About (1S,2S,4S)-N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide

(1S,2S,4S)-N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98785707) has the molecular formula C22H24FNO and a molecular weight of 337.44 g/mol. Its IUPAC name is (1S,2S,4S)-N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,4S)-N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98785707
Molecular FormulaC22H24FNO
Molecular Weight337.44 g/mol
Exact Mass337.18
IUPAC Name(1S,2S,4S)-N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCN(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)[C@@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H24FNO/c1-24(22(25)20-14-15-7-8-18(20)13-15)21(16-5-3-2-4-6-16)17-9-11-19(23)12-10-17/h2-6,9-12,15,18,20-21H,7-8,13-14H2,1H3/t15-,18-,20-,21-/m0/s1
InChIKeyIYBCCUAWIHSZMS-HGWQEYRNSA-N
XLogP4.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,4S)-N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide (CID 98785707) is (1S,2S,4S)-N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,4S)-N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,4S)-N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide is CN(C(=O)[C@H]1C[C@H]2CC[C@H]1C2)[C@@H](c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (1S,2S,4S)-N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is IYBCCUAWIHSZMS-HGWQEYRNSA-N. The full InChI is InChI=1S/C22H24FNO/c1-24(22(25)20-14-15-7-8-18(20)13-15)21(16-5-3-2-4-6-16)17-9-11-19(23)12-10-17/h2-6,9-12,15,18,20-21H,7-8,13-14H2,1H3/t15-,18-,20-,21-/m0/s1.
What are the key properties of (1S,2S,4S)-N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,4S)-N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 337.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98785707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).