(2S,4R)-2-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide

C15H20FNO3 — CID 59568827

IUPAC(2S,4R)-2-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
SMILESCO[C@H](C[C@H](CC1CC1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-20-14(11-4-6-13(16)7-5-11)9-12(15(18)17-19)8-10-2-3-10/h4-7,10,12,14,19H,2-3,8-9H2,1H3,(H,17,18)/t12-,14+/m0/s1
InChIKeyBNFDSLHTLJWBCM-GXTWGEPZSA-N
MW281.33 g/mol
LogP2.83
Rot. Bonds7

About (2S,4R)-2-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide

(2S,4R)-2-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide (PubChem CID 59568827) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (2S,4R)-2-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide.

Molecular Properties

Compound Name(2S,4R)-2-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
PubChem CID59568827
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(2S,4R)-2-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide
SMILESCO[C@H](C[C@H](CC1CC1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-20-14(11-4-6-13(16)7-5-11)9-12(15(18)17-19)8-10-2-3-10/h4-7,10,12,14,19H,2-3,8-9H2,1H3,(H,17,18)/t12-,14+/m0/s1
InChIKeyBNFDSLHTLJWBCM-GXTWGEPZSA-N
XLogP2.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The IUPAC name of (2S,4R)-2-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide (CID 59568827) is (2S,4R)-2-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide.
What is the SMILES notation for (2S,4R)-2-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The canonical SMILES for (2S,4R)-2-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide is CO[C@H](C[C@H](CC1CC1)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of (2S,4R)-2-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
The InChIKey is BNFDSLHTLJWBCM-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-20-14(11-4-6-13(16)7-5-11)9-12(15(18)17-19)8-10-2-3-10/h4-7,10,12,14,19H,2-3,8-9H2,1H3,(H,17,18)/t12-,14+/m0/s1.
What are the key properties of (2S,4R)-2-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide?
(2S,4R)-2-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide has a molecular weight of 281.33 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-hydroxy-4-methoxybutanamide is sourced from PubChem (CID 59568827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).