2-(3-chloro-4-nitrophenoxy)butanamide

C10H11ClN2O4 — CID 62899545

IUPAC2-(3-chloro-4-nitrophenoxy)butanamide
SMILESCCC(Oc1ccc([N+](=O)[O-])c(Cl)c1)C(N)=O
InChIInChI=1S/C10H11ClN2O4/c1-2-9(10(12)14)17-6-3-4-8(13(15)16)7(11)5-6/h3-5,9H,2H2,1H3,(H2,12,14)
InChIKeyGILRWOXQWHUYTO-UHFFFAOYSA-N
MW258.66 g/mol
LogP1.89
Rot. Bonds5

About 2-(3-chloro-4-nitrophenoxy)butanamide

2-(3-chloro-4-nitrophenoxy)butanamide (PubChem CID 62899545) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is 2-(3-chloro-4-nitrophenoxy)butanamide.

Molecular Properties

Compound Name2-(3-chloro-4-nitrophenoxy)butanamide
PubChem CID62899545
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name2-(3-chloro-4-nitrophenoxy)butanamide
SMILESCCC(Oc1ccc([N+](=O)[O-])c(Cl)c1)C(N)=O
InChIInChI=1S/C10H11ClN2O4/c1-2-9(10(12)14)17-6-3-4-8(13(15)16)7(11)5-6/h3-5,9H,2H2,1H3,(H2,12,14)
InChIKeyGILRWOXQWHUYTO-UHFFFAOYSA-N
XLogP1.89
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(2-chloro-4-nitrophenoxy)butanamide
CID 62901256
2-[5-(aminomethyl)-2-nitrophenoxy]butanamide
CID 62900391
2-(3-chloro-4-nitrophenoxy)-N-ethylpropanamide
CID 78977364
2-[4-(hydroxymethyl)-2-nitrophenoxy]butanamide
CID 55132583
4-(1-amino-1-oxobutan-2-yl)oxy-3-nitrobenzoic acid
CID 62899104
4-(1-amino-1-oxobutan-2-yl)oxybenzenesulfonyl chloride
CID 82916384
2-(4-methylphenoxy)butanamide
CID 4980758
4-(3-chloro-4-nitrophenoxy)butan-2-one
CID 62111779
2-chloro-4-(2-methylprop-2-enoxy)-1-nitrobenzene
CID 78977095
2-(4-ethoxyphenoxy)butanamide
CID 62901060
2-[4-(ethylaminomethyl)-2-nitrophenoxy]butanamide
CID 62901529
2-(3-chloro-4-nitrophenoxy)-N-prop-2-ynylpropanamide
CID 79823310

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-nitrophenoxy)butanamide?
The IUPAC name of 2-(3-chloro-4-nitrophenoxy)butanamide (CID 62899545) is 2-(3-chloro-4-nitrophenoxy)butanamide.
What is the SMILES notation for 2-(3-chloro-4-nitrophenoxy)butanamide?
The canonical SMILES for 2-(3-chloro-4-nitrophenoxy)butanamide is CCC(Oc1ccc([N+](=O)[O-])c(Cl)c1)C(N)=O.
What is the InChIKey of 2-(3-chloro-4-nitrophenoxy)butanamide?
The InChIKey is GILRWOXQWHUYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O4/c1-2-9(10(12)14)17-6-3-4-8(13(15)16)7(11)5-6/h3-5,9H,2H2,1H3,(H2,12,14).
What are the key properties of 2-(3-chloro-4-nitrophenoxy)butanamide?
2-(3-chloro-4-nitrophenoxy)butanamide has a molecular weight of 258.66 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-nitrophenoxy)butanamide is sourced from PubChem (CID 62899545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).