4-fluoro-N,3-dihydroxy-2,3-dimethyl-2-[3-(4-phenylphenyl)prop-2-enylamino]butanamide

C21H25FN2O3 — CID 123808194

IUPAC4-fluoro-N,3-dihydroxy-2,3-dimethyl-2-[3-(4-phenylphenyl)prop-2-enylamino]butanamide
SMILESCC(O)(CF)C(C)(NCC=Cc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C21H25FN2O3/c1-20(26,15-22)21(2,19(25)24-27)23-14-6-7-16-10-12-18(13-11-16)17-8-4-3-5-9-17/h3-13,23,26-27H,14-15H2,1-2H3,(H,24,25)
InChIKeyNOINDOGDPXKRDP-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.94
Rot. Bonds8

About 4-fluoro-N,3-dihydroxy-2,3-dimethyl-2-[3-(4-phenylphenyl)prop-2-enylamino]butanamide

4-fluoro-N,3-dihydroxy-2,3-dimethyl-2-[3-(4-phenylphenyl)prop-2-enylamino]butanamide (PubChem CID 123808194) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-fluoro-N,3-dihydroxy-2,3-dimethyl-2-[3-(4-phenylphenyl)prop-2-enylamino]butanamide.

Molecular Properties

Compound Name4-fluoro-N,3-dihydroxy-2,3-dimethyl-2-[3-(4-phenylphenyl)prop-2-enylamino]butanamide
PubChem CID123808194
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name4-fluoro-N,3-dihydroxy-2,3-dimethyl-2-[3-(4-phenylphenyl)prop-2-enylamino]butanamide
SMILESCC(O)(CF)C(C)(NCC=Cc1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C21H25FN2O3/c1-20(26,15-22)21(2,19(25)24-27)23-14-6-7-16-10-12-18(13-11-16)17-8-4-3-5-9-17/h3-13,23,26-27H,14-15H2,1-2H3,(H,24,25)
InChIKeyNOINDOGDPXKRDP-UHFFFAOYSA-N
XLogP2.94
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-fluoro-N,3-dihydroxy-2-[[(E)-3-[4-(3-methoxyphenyl)phenyl]prop-2-enyl]amino]-2,3-dimethylpentanamide
CID 144791734
(E,3S)-3-[(2S)-1-fluoro-2-hydroxypropan-2-yl]-3-methyl-7-(4-phenylphenyl)hept-6-en-2-one
CID 162241100
4,4-difluoro-N,3-dihydroxy-3-methyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]butanamide
CID 121481444
2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
CID 6387609
N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine
CID 79592735
N-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine
CID 144791715
(E)-N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 73336131
3-methyl-2-(3-phenylprop-2-enylamino)butanoic acid
CID 71827506
N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 123802706
N,3-dihydroxy-2,3-dimethyl-2-[2-(4-phenylphenyl)ethyl]butanamide;ethane
CID 144791814
4-fluoro-3-(fluoromethyl)-N-hydroxy-2-methyl-2-[3-(4-phenylphenyl)propylamino]butanamide
CID 123709297
(E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one
CID 89392767

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dihydroxy-2,3-dimethyl-2-[3-(4-phenylphenyl)prop-2-enylamino]butanamide?
The IUPAC name of 4-fluoro-N,3-dihydroxy-2,3-dimethyl-2-[3-(4-phenylphenyl)prop-2-enylamino]butanamide (CID 123808194) is 4-fluoro-N,3-dihydroxy-2,3-dimethyl-2-[3-(4-phenylphenyl)prop-2-enylamino]butanamide.
What is the SMILES notation for 4-fluoro-N,3-dihydroxy-2,3-dimethyl-2-[3-(4-phenylphenyl)prop-2-enylamino]butanamide?
The canonical SMILES for 4-fluoro-N,3-dihydroxy-2,3-dimethyl-2-[3-(4-phenylphenyl)prop-2-enylamino]butanamide is CC(O)(CF)C(C)(NCC=Cc1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of 4-fluoro-N,3-dihydroxy-2,3-dimethyl-2-[3-(4-phenylphenyl)prop-2-enylamino]butanamide?
The InChIKey is NOINDOGDPXKRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-20(26,15-22)21(2,19(25)24-27)23-14-6-7-16-10-12-18(13-11-16)17-8-4-3-5-9-17/h3-13,23,26-27H,14-15H2,1-2H3,(H,24,25).
What are the key properties of 4-fluoro-N,3-dihydroxy-2,3-dimethyl-2-[3-(4-phenylphenyl)prop-2-enylamino]butanamide?
4-fluoro-N,3-dihydroxy-2,3-dimethyl-2-[3-(4-phenylphenyl)prop-2-enylamino]butanamide has a molecular weight of 372.44 g/mol, XLogP of 2.94, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3-dihydroxy-2,3-dimethyl-2-[3-(4-phenylphenyl)prop-2-enylamino]butanamide is sourced from PubChem (CID 123808194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).