4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide

C10H11ClN2O4 — CID 107679551

IUPAC4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
SMILESO=C(CCCCl)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN2O4/c11-6-2-5-9(15)12-10-7(13(16)17)3-1-4-8(10)14/h1,3-4,14H,2,5-6H2,(H,12,15)
InChIKeyYJBWJMDHANQFLJ-UHFFFAOYSA-N
MW258.66 g/mol
LogP2.26
Rot. Bonds5

About 4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide

4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide (PubChem CID 107679551) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
PubChem CID107679551
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide
SMILESO=C(CCCCl)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H11ClN2O4/c11-6-2-5-9(15)12-10-7(13(16)17)3-1-4-8(10)14/h1,3-4,14H,2,5-6H2,(H,12,15)
InChIKeyYJBWJMDHANQFLJ-UHFFFAOYSA-N
XLogP2.26
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-6-nitrophenyl)-3-phenylpropanamide
CID 107681392
N-(2-hydroxy-6-nitrophenyl)but-3-enamide
CID 107681224
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
5-chloro-N-(2-nitrophenyl)pentanamide
CID 43699352
N-(2-hydroxy-6-nitrophenyl)-2-phenoxyacetamide
CID 107681256
3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide
CID 107681385
2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide
CID 107681048
N-(2-hydroxy-6-nitrophenyl)prop-2-enamide
CID 107679556
4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107679552
5-amino-N-(2-fluoro-6-nitrophenyl)pentanamide
CID 81310195
N-(2-hydroxy-6-nitrophenyl)-3-methylpentanamide
CID 107681171
N-(2-hydroxy-6-nitrophenyl)-2-propan-2-yloxyacetamide
CID 107681464

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide?
The IUPAC name of 4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide (CID 107679551) is 4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide?
The canonical SMILES for 4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide is O=C(CCCCl)Nc1c(O)cccc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide?
The InChIKey is YJBWJMDHANQFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c11-6-2-5-9(15)12-10-7(13(16)17)3-1-4-8(10)14/h1,3-4,14H,2,5-6H2,(H,12,15).
What are the key properties of 4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide?
4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide has a molecular weight of 258.66 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxy-6-nitrophenyl)butanamide is sourced from PubChem (CID 107679551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).