4,4-difluoro-N,3-dihydroxy-3-methyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]butanamide

C20H22F2N2O3 — CID 121481444

IUPAC4,4-difluoro-N,3-dihydroxy-3-methyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]butanamide
SMILESCC(O)(C(F)F)C(NC/C=C/c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C20H22F2N2O3/c1-20(26,19(21)22)17(18(25)24-27)23-13-5-6-14-9-11-16(12-10-14)15-7-3-2-4-8-15/h2-12,17,19,23,26-27H,13H2,1H3,(H,24,25)/b6-5+
InChIKeyKGXPOQKNHDBGHP-AATRIKPKSA-N
MW376.40 g/mol
LogP2.85
Rot. Bonds8

About 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]butanamide

4,4-difluoro-N,3-dihydroxy-3-methyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]butanamide (PubChem CID 121481444) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]butanamide.

Molecular Properties

Compound Name4,4-difluoro-N,3-dihydroxy-3-methyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]butanamide
PubChem CID121481444
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name4,4-difluoro-N,3-dihydroxy-3-methyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]butanamide
SMILESCC(O)(C(F)F)C(NC/C=C/c1ccc(-c2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C20H22F2N2O3/c1-20(26,19(21)22)17(18(25)24-27)23-13-5-6-14-9-11-16(12-10-14)15-7-3-2-4-8-15/h2-12,17,19,23,26-27H,13H2,1H3,(H,24,25)/b6-5+
InChIKeyKGXPOQKNHDBGHP-AATRIKPKSA-N
XLogP2.85
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.85
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)-4,4-difluoro-N,3-dihydroxy-3-methyl-2-[(6-phenylnaphthalen-2-yl)methylamino]butanamide
CID 121481414
(2S,3S)-4,4-difluoro-N,3-dihydroxy-2-[(2-methoxy-4-phenylphenyl)methylamino]-3-methylbutanamide
CID 121480189
4-fluoro-N,3-dihydroxy-2,3-dimethyl-2-[3-(4-phenylphenyl)prop-2-enylamino]butanamide
CID 123808194
N-[5,5-difluoro-4-methyl-3-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]pent-1-en-2-yl]hydroxylamine
CID 144791715
4,4-difluoro-N,3-dihydroxy-3-methyl-2-[2-(6-phenylnaphthalen-2-yl)ethyl]butanamide
CID 162056804
(E)-N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 73336131
N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 123802706
N-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide
CID 115605485
(2S,3S)-4-fluoro-N,3-dihydroxy-2-[[(E)-3-[4-(3-methoxyphenyl)phenyl]prop-2-enyl]amino]-2,3-dimethylpentanamide
CID 144791734
N-methyl-2-(3-phenylprop-2-enylamino)propanamide
CID 76940370
3-methyl-2-(3-phenylprop-2-enylamino)butanoic acid
CID 71827506
(E,3S)-3-[(2S)-1-fluoro-2-hydroxypropan-2-yl]-3-methyl-7-(4-phenylphenyl)hept-6-en-2-one
CID 162241100

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]butanamide?
The IUPAC name of 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]butanamide (CID 121481444) is 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]butanamide.
What is the SMILES notation for 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]butanamide?
The canonical SMILES for 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]butanamide is CC(O)(C(F)F)C(NC/C=C/c1ccc(-c2ccccc2)cc1)C(=O)NO.
What is the InChIKey of 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]butanamide?
The InChIKey is KGXPOQKNHDBGHP-AATRIKPKSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-20(26,19(21)22)17(18(25)24-27)23-13-5-6-14-9-11-16(12-10-14)15-7-3-2-4-8-15/h2-12,17,19,23,26-27H,13H2,1H3,(H,24,25)/b6-5+.
What are the key properties of 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]butanamide?
4,4-difluoro-N,3-dihydroxy-3-methyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]butanamide has a molecular weight of 376.40 g/mol, XLogP of 2.85, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N,3-dihydroxy-3-methyl-2-[[(E)-3-(4-phenylphenyl)prop-2-enyl]amino]butanamide is sourced from PubChem (CID 121481444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).