(2S)-7-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyheptanamide

C24H32F2N2O3 — CID 54584002

IUPAC(2S)-7-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyheptanamide
SMILESCO[C@H](C[C@H](CCCCCNCCc1ccc(F)cc1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C24H32F2N2O3/c1-31-23(19-8-12-22(26)13-9-19)17-20(24(29)28-30)5-3-2-4-15-27-16-14-18-6-10-21(25)11-7-18/h6-13,20,23,27,30H,2-5,14-17H2,1H3,(H,28,29)/t20-,23+/m0/s1
InChIKeyRQBZWNAQMGTMRV-NZQKXSOJSA-N
MW434.53 g/mol
LogP4.56
Rot. Bonds14

About (2S)-7-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyheptanamide

(2S)-7-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyheptanamide (PubChem CID 54584002) has the molecular formula C24H32F2N2O3 and a molecular weight of 434.53 g/mol. Its IUPAC name is (2S)-7-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyheptanamide.

Molecular Properties

Compound Name(2S)-7-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyheptanamide
PubChem CID54584002
Molecular FormulaC24H32F2N2O3
Molecular Weight434.53 g/mol
Exact Mass434.24
IUPAC Name(2S)-7-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyheptanamide
SMILESCO[C@H](C[C@H](CCCCCNCCc1ccc(F)cc1)C(=O)NO)c1ccc(F)cc1
InChIInChI=1S/C24H32F2N2O3/c1-31-23(19-8-12-22(26)13-9-19)17-20(24(29)28-30)5-3-2-4-15-27-16-14-18-6-10-21(25)11-7-18/h6-13,20,23,27,30H,2-5,14-17H2,1H3,(H,28,29)/t20-,23+/m0/s1
InChIKeyRQBZWNAQMGTMRV-NZQKXSOJSA-N
XLogP4.56
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-7-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyheptanamide?
The IUPAC name of (2S)-7-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyheptanamide (CID 54584002) is (2S)-7-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyheptanamide.
What is the SMILES notation for (2S)-7-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyheptanamide?
The canonical SMILES for (2S)-7-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyheptanamide is CO[C@H](C[C@H](CCCCCNCCc1ccc(F)cc1)C(=O)NO)c1ccc(F)cc1.
What is the InChIKey of (2S)-7-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyheptanamide?
The InChIKey is RQBZWNAQMGTMRV-NZQKXSOJSA-N. The full InChI is InChI=1S/C24H32F2N2O3/c1-31-23(19-8-12-22(26)13-9-19)17-20(24(29)28-30)5-3-2-4-15-27-16-14-18-6-10-21(25)11-7-18/h6-13,20,23,27,30H,2-5,14-17H2,1H3,(H,28,29)/t20-,23+/m0/s1.
What are the key properties of (2S)-7-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyheptanamide?
(2S)-7-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyheptanamide has a molecular weight of 434.53 g/mol, XLogP of 4.56, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-[2-(4-fluorophenyl)ethylamino]-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxyheptanamide is sourced from PubChem (CID 54584002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).