(3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide

C16H23FN2O2 — CID 54413400

IUPAC(3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c17-12-6-8-13(9-7-12)19-16(21)15(20)14(18)10-11-4-2-1-3-5-11/h6-9,11,14-15,20H,1-5,10,18H2,(H,19,21)/t14-,15?/m1/s1
InChIKeyVVSGEHWKMQRSLJ-GICMACPYSA-N
MW294.37 g/mol
LogP2.42
Rot. Bonds5

About (3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide

(3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide (PubChem CID 54413400) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide
PubChem CID54413400
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name(3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c17-12-6-8-13(9-7-12)19-16(21)15(20)14(18)10-11-4-2-1-3-5-11/h6-9,11,14-15,20H,1-5,10,18H2,(H,19,21)/t14-,15?/m1/s1
InChIKeyVVSGEHWKMQRSLJ-GICMACPYSA-N
XLogP2.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide (CID 54413400) is (3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide is N[C@H](CC1CCCCC1)C(O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide?
The InChIKey is VVSGEHWKMQRSLJ-GICMACPYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-12-6-8-13(9-7-12)19-16(21)15(20)14(18)10-11-4-2-1-3-5-11/h6-9,11,14-15,20H,1-5,10,18H2,(H,19,21)/t14-,15?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide?
(3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide has a molecular weight of 294.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide is sourced from PubChem (CID 54413400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).