4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide

C11H13FN2O5 — CID 171899844

IUPAC4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide
SMILESCc1c(C(O)C(O)CC(N)=O)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13FN2O5/c1-5-7(11(17)9(15)4-10(13)16)2-6(12)3-8(5)14(18)19/h2-3,9,11,15,17H,4H2,1H3,(H2,13,16)
InChIKeyFSXRLNNOEZQWKX-UHFFFAOYSA-N
MW272.23 g/mol
LogP0.31
Rot. Bonds5

About 4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide

4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide (PubChem CID 171899844) has the molecular formula C11H13FN2O5 and a molecular weight of 272.23 g/mol. Its IUPAC name is 4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide
PubChem CID171899844
Molecular FormulaC11H13FN2O5
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide
SMILESCc1c(C(O)C(O)CC(N)=O)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C11H13FN2O5/c1-5-7(11(17)9(15)4-10(13)16)2-6(12)3-8(5)14(18)19/h2-3,9,11,15,17H,4H2,1H3,(H2,13,16)
InChIKeyFSXRLNNOEZQWKX-UHFFFAOYSA-N
XLogP0.31
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydroxy-4-(2-methyl-3-nitrophenyl)butanamide
CID 171899655
methyl 3-(5-fluoro-2-methyl-3-nitrophenyl)-2,3-dihydroxypropanoate
CID 171864724
4-(2,4-dimethyl-5-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899858
3-azido-1-(5-fluoro-2-methyl-3-nitrophenyl)propane-1,2-diol
CID 170826691
4-(4-amino-1,2-dihydroxy-4-oxobutyl)-5-fluoro-2-nitrobenzoic acid
CID 171900130
4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171899800
4-(5-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899616
4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899617
4-(2,4-dimethyl-6-nitrophenyl)-3,4-dihydroxybutanamide
CID 171900328
3,4-dihydroxy-4-(4-methyl-3-nitrophenyl)butanamide
CID 171899653
4-(5-fluoro-2-hydroxyphenyl)-3,4-dihydroxybutanamide
CID 171898776
3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide
CID 171868869

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide (CID 171899844) is 4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide is Cc1c(C(O)C(O)CC(N)=O)cc(F)cc1[N+](=O)[O-].
What is the InChIKey of 4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide?
The InChIKey is FSXRLNNOEZQWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O5/c1-5-7(11(17)9(15)4-10(13)16)2-6(12)3-8(5)14(18)19/h2-3,9,11,15,17H,4H2,1H3,(H2,13,16).
What are the key properties of 4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide?
4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide has a molecular weight of 272.23 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).