3-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-2-fluorobenzamide

C20H23FN2O3 — CID 21345566

IUPAC3-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-2-fluorobenzamide
SMILESNC(=O)c1cccc(C[C@H](C[C@@H](O)CCc2ccccc2)C(N)=O)c1F
InChIInChI=1S/C20H23FN2O3/c21-18-14(7-4-8-17(18)20(23)26)11-15(19(22)25)12-16(24)10-9-13-5-2-1-3-6-13/h1-8,15-16,24H,9-12H2,(H2,22,25)(H2,23,26)/t15-,16+/m1/s1
InChIKeyFAYSGDNAECYGMY-CVEARBPZSA-N
MW358.41 g/mol
LogP1.95
Rot. Bonds9

About 3-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-2-fluorobenzamide

3-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-2-fluorobenzamide (PubChem CID 21345566) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-2-fluorobenzamide.

Molecular Properties

Compound Name3-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-2-fluorobenzamide
PubChem CID21345566
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name3-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-2-fluorobenzamide
SMILESNC(=O)c1cccc(C[C@H](C[C@@H](O)CCc2ccccc2)C(N)=O)c1F
InChIInChI=1S/C20H23FN2O3/c21-18-14(7-4-8-17(18)20(23)26)11-15(19(22)25)12-16(24)10-9-13-5-2-1-3-6-13/h1-8,15-16,24H,9-12H2,(H2,22,25)(H2,23,26)/t15-,16+/m1/s1
InChIKeyFAYSGDNAECYGMY-CVEARBPZSA-N
XLogP1.95
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-2-fluorobenzamide?
The IUPAC name of 3-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-2-fluorobenzamide (CID 21345566) is 3-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-2-fluorobenzamide.
What is the SMILES notation for 3-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-2-fluorobenzamide?
The canonical SMILES for 3-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-2-fluorobenzamide is NC(=O)c1cccc(C[C@H](C[C@@H](O)CCc2ccccc2)C(N)=O)c1F.
What is the InChIKey of 3-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-2-fluorobenzamide?
The InChIKey is FAYSGDNAECYGMY-CVEARBPZSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-18-14(7-4-8-17(18)20(23)26)11-15(19(22)25)12-16(24)10-9-13-5-2-1-3-6-13/h1-8,15-16,24H,9-12H2,(H2,22,25)(H2,23,26)/t15-,16+/m1/s1.
What are the key properties of 3-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-2-fluorobenzamide?
3-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-2-fluorobenzamide has a molecular weight of 358.41 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-2-fluorobenzamide is sourced from PubChem (CID 21345566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).