4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide

C10H11ClN2O5 — CID 171899617

IUPAC4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN2O5/c11-5-1-2-6(7(3-5)13(17)18)10(16)8(14)4-9(12)15/h1-3,8,10,14,16H,4H2,(H2,12,15)
InChIKeyABDHVVBSCDSJSJ-UHFFFAOYSA-N
MW274.66 g/mol
LogP0.52
Rot. Bonds5

About 4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide

4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide (PubChem CID 171899617) has the molecular formula C10H11ClN2O5 and a molecular weight of 274.66 g/mol. Its IUPAC name is 4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide
PubChem CID171899617
Molecular FormulaC10H11ClN2O5
Molecular Weight274.66 g/mol
Exact Mass274.04
IUPAC Name4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN2O5/c11-5-1-2-6(7(3-5)13(17)18)10(16)8(14)4-9(12)15/h1-3,8,10,14,16H,4H2,(H2,12,15)
InChIKeyABDHVVBSCDSJSJ-UHFFFAOYSA-N
XLogP0.52
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.66
LogP ≤ 50.52
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

4-(5-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899616
3-amino-1-(4-chloro-2-nitrophenyl)propane-1,2-diol
CID 170828464
methyl 4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanoate
CID 171896033
3-chloro-1-(4-chloro-2-nitrophenyl)propane-1,2-diol
CID 171862476
4-(4-chloro-2-cyanophenyl)-3,4-dihydroxybutanamide
CID 171899210
4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171899800
4-(2,4-dimethyl-5-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899858
3,4-dihydroxy-4-(2-methyl-3-nitrophenyl)butanamide
CID 171899655
4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899844
3,4-dihydroxy-4-(4-methyl-3-nitrophenyl)butanamide
CID 171899653
3-chloro-1-(4-fluoro-2-nitrophenyl)propane-1,2-diol
CID 171862478
3,4-dihydroxy-4-(4-methoxy-3-nitrophenyl)butanamide
CID 171899886

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide (CID 171899617) is 4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide?
The InChIKey is ABDHVVBSCDSJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O5/c11-5-1-2-6(7(3-5)13(17)18)10(16)8(14)4-9(12)15/h1-3,8,10,14,16H,4H2,(H2,12,15).
What are the key properties of 4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide?
4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide has a molecular weight of 274.66 g/mol, XLogP of 0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).