2-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-5-fluorobenzamide

C20H23FN2O3 — CID 21345519

IUPAC2-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1CC(C[C@@H](O)CCc1ccccc1)C(N)=O
InChIInChI=1S/C20H23FN2O3/c21-16-8-7-14(18(12-16)20(23)26)10-15(19(22)25)11-17(24)9-6-13-4-2-1-3-5-13/h1-5,7-8,12,15,17,24H,6,9-11H2,(H2,22,25)(H2,23,26)/t15?,17-/m0/s1
InChIKeyFFWWPPKRZVGVCE-LWKPJOBUSA-N
MW358.41 g/mol
LogP1.95
Rot. Bonds9

About 2-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-5-fluorobenzamide

2-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-5-fluorobenzamide (PubChem CID 21345519) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-5-fluorobenzamide
PubChem CID21345519
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-5-fluorobenzamide
SMILESNC(=O)c1cc(F)ccc1CC(C[C@@H](O)CCc1ccccc1)C(N)=O
InChIInChI=1S/C20H23FN2O3/c21-16-8-7-14(18(12-16)20(23)26)10-15(19(22)25)11-17(24)9-6-13-4-2-1-3-5-13/h1-5,7-8,12,15,17,24H,6,9-11H2,(H2,22,25)(H2,23,26)/t15?,17-/m0/s1
InChIKeyFFWWPPKRZVGVCE-LWKPJOBUSA-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 2-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-5-fluorobenzamide?
The IUPAC name of 2-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-5-fluorobenzamide (CID 21345519) is 2-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-5-fluorobenzamide.
What is the SMILES notation for 2-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-5-fluorobenzamide?
The canonical SMILES for 2-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-5-fluorobenzamide is NC(=O)c1cc(F)ccc1CC(C[C@@H](O)CCc1ccccc1)C(N)=O.
What is the InChIKey of 2-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-5-fluorobenzamide?
The InChIKey is FFWWPPKRZVGVCE-LWKPJOBUSA-N. The full InChI is InChI=1S/C20H23FN2O3/c21-16-8-7-14(18(12-16)20(23)26)10-15(19(22)25)11-17(24)9-6-13-4-2-1-3-5-13/h1-5,7-8,12,15,17,24H,6,9-11H2,(H2,22,25)(H2,23,26)/t15?,17-/m0/s1.
What are the key properties of 2-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-5-fluorobenzamide?
2-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-5-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 2-[(2R,4S)-2-carbamoyl-4-hydroxy-6-phenylhexyl]-5-fluorobenzamide is sourced from PubChem (CID 21345519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).