4,4-difluoro-N,3-dihydroxy-3-methyl-2-[2-(6-phenylnaphthalen-2-yl)ethyl]butanamide

C23H23F2NO3 — CID 162056804

IUPAC4,4-difluoro-N,3-dihydroxy-3-methyl-2-[2-(6-phenylnaphthalen-2-yl)ethyl]butanamide
SMILESCC(O)(C(F)F)C(CCc1ccc2cc(-c3ccccc3)ccc2c1)C(=O)NO
InChIInChI=1S/C23H23F2NO3/c1-23(28,22(24)25)20(21(27)26-29)12-8-15-7-9-19-14-18(11-10-17(19)13-15)16-5-3-2-4-6-16/h2-7,9-11,13-14,20,22,28-29H,8,12H2,1H3,(H,26,27)
InChIKeyYZHHRQHHWAAKMV-UHFFFAOYSA-N
MW399.44 g/mol
LogP4.58
Rot. Bonds7

About 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[2-(6-phenylnaphthalen-2-yl)ethyl]butanamide

4,4-difluoro-N,3-dihydroxy-3-methyl-2-[2-(6-phenylnaphthalen-2-yl)ethyl]butanamide (PubChem CID 162056804) has the molecular formula C23H23F2NO3 and a molecular weight of 399.44 g/mol. Its IUPAC name is 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[2-(6-phenylnaphthalen-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4,4-difluoro-N,3-dihydroxy-3-methyl-2-[2-(6-phenylnaphthalen-2-yl)ethyl]butanamide
PubChem CID162056804
Molecular FormulaC23H23F2NO3
Molecular Weight399.44 g/mol
Exact Mass399.16
IUPAC Name4,4-difluoro-N,3-dihydroxy-3-methyl-2-[2-(6-phenylnaphthalen-2-yl)ethyl]butanamide
SMILESCC(O)(C(F)F)C(CCc1ccc2cc(-c3ccccc3)ccc2c1)C(=O)NO
InChIInChI=1S/C23H23F2NO3/c1-23(28,22(24)25)20(21(27)26-29)12-8-15-7-9-19-14-18(11-10-17(19)13-15)16-5-3-2-4-6-16/h2-7,9-11,13-14,20,22,28-29H,8,12H2,1H3,(H,26,27)
InChIKeyYZHHRQHHWAAKMV-UHFFFAOYSA-N
XLogP4.58
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.58
H-Bond Donors ≤ 53
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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Related Compounds

(2S,3S)-4,4-difluoro-N,3-dihydroxy-3-methyl-2-[(6-phenylnaphthalen-2-yl)methylamino]butanamide
CID 121481414
4,4-difluoro-N,3-dihydroxy-3-methyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]butanamide
CID 121481444
(2S,3S)-4,4-difluoro-N,3-dihydroxy-2-[(2-methoxy-4-phenylphenyl)methylamino]-3-methylbutanamide
CID 121480189
(5R)-N',2-dihydroxy-5-[(2S)-2-hydroxy-4-naphthalen-2-ylbutyl]-2-methylhexanediamide
CID 21345614
ethane;2-methyl-4-(4-phenylphenyl)butanoic acid
CID 144791729
2-phenyl-6-[2-(4-prop-1-en-2-ylphenyl)ethyl]naphthalene
CID 58428339
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690
N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane
CID 144791814
(2S,3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]butanamide
CID 59697972
N-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide
CID 163300543
(2S,3R)-3-hydroxy-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]butanamide;methane
CID 158810597
2-amino-N-(2-naphthalen-2-ylethyl)propanamide
CID 115152538

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[2-(6-phenylnaphthalen-2-yl)ethyl]butanamide?
The IUPAC name of 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[2-(6-phenylnaphthalen-2-yl)ethyl]butanamide (CID 162056804) is 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[2-(6-phenylnaphthalen-2-yl)ethyl]butanamide.
What is the SMILES notation for 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[2-(6-phenylnaphthalen-2-yl)ethyl]butanamide?
The canonical SMILES for 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[2-(6-phenylnaphthalen-2-yl)ethyl]butanamide is CC(O)(C(F)F)C(CCc1ccc2cc(-c3ccccc3)ccc2c1)C(=O)NO.
What is the InChIKey of 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[2-(6-phenylnaphthalen-2-yl)ethyl]butanamide?
The InChIKey is YZHHRQHHWAAKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2NO3/c1-23(28,22(24)25)20(21(27)26-29)12-8-15-7-9-19-14-18(11-10-17(19)13-15)16-5-3-2-4-6-16/h2-7,9-11,13-14,20,22,28-29H,8,12H2,1H3,(H,26,27).
What are the key properties of 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[2-(6-phenylnaphthalen-2-yl)ethyl]butanamide?
4,4-difluoro-N,3-dihydroxy-3-methyl-2-[2-(6-phenylnaphthalen-2-yl)ethyl]butanamide has a molecular weight of 399.44 g/mol, XLogP of 4.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[2-(6-phenylnaphthalen-2-yl)ethyl]butanamide is sourced from PubChem (CID 162056804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).