4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide

C21H26F2N2O2 — CID 123709297

IUPAC4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide
SMILESCC(NCCCc1ccc(-c2ccccc2)cc1)(C(=O)NO)C(CF)CF
InChIInChI=1S/C21H26F2N2O2/c1-21(20(26)25-27,19(14-22)15-23)24-13-5-6-16-9-11-18(12-10-16)17-7-3-2-4-8-17/h2-4,7-12,19,24,27H,5-6,13-15H2,1H3,(H,25,26)
InChIKeyJUZIMCKWQRRBGM-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.70
Rot. Bonds10

About 4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide

4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide (PubChem CID 123709297) has the molecular formula C21H26F2N2O2 and a molecular weight of 376.45 g/mol. Its IUPAC name is 4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide.

Molecular Properties

Compound Name4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide
PubChem CID123709297
Molecular FormulaC21H26F2N2O2
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Name4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide
SMILESCC(NCCCc1ccc(-c2ccccc2)cc1)(C(=O)NO)C(CF)CF
InChIInChI=1S/C21H26F2N2O2/c1-21(20(26)25-27,19(14-22)15-23)24-13-5-6-16-9-11-18(12-10-16)17-7-3-2-4-8-17/h2-4,7-12,19,24,27H,5-6,13-15H2,1H3,(H,25,26)
InChIKeyJUZIMCKWQRRBGM-UHFFFAOYSA-N
XLogP3.70
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane
CID 144791814
4,4-difluoro-N-hydroxy-2,3-dimethyl-2-[3-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]propylamino]butanamide
CID 144791691
2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136
2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid
CID 65265422
N,2-dihydroxy-2-methyl-4-phenylbutanamide
CID 18686340
1-(5-fluoropentyl)-4-phenylbenzene
CID 20663493
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine
CID 65454764
2-amino-2-methyl-N-(5-phenylpentyl)propanamide
CID 119317062
N-butyl-2-methyl-4-(4-phenylphenyl)butan-2-amine
CID 138685115
4-(4-phenylphenyl)butan-1-ol
CID 11970468
N-hydroxy-2-methyl-2-methylsulfanyl-6-[4-(2-phenylethynyl)phenyl]hexanamide
CID 144791696

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide?
The IUPAC name of 4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide (CID 123709297) is 4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide.
What is the SMILES notation for 4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide?
The canonical SMILES for 4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide is CC(NCCCc1ccc(-c2ccccc2)cc1)(C(=O)NO)C(CF)CF.
What is the InChIKey of 4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide?
The InChIKey is JUZIMCKWQRRBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N2O2/c1-21(20(26)25-27,19(14-22)15-23)24-13-5-6-16-9-11-18(12-10-16)17-7-3-2-4-8-17/h2-4,7-12,19,24,27H,5-6,13-15H2,1H3,(H,25,26).
What are the key properties of 4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide?
4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide has a molecular weight of 376.45 g/mol, XLogP of 3.70, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide is sourced from PubChem (CID 123709297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).