N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide

C12H15ClN2O4 — CID 7979841

IUPACN-butyl-2-(4-chloro-2-nitrophenoxy)acetamide
SMILESCCCCNC(=O)COc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15ClN2O4/c1-2-3-6-14-12(16)8-19-11-5-4-9(13)7-10(11)15(17)18/h4-5,7H,2-3,6,8H2,1H3,(H,14,16)
InChIKeyYDUJYKXYDIUYHI-UHFFFAOYSA-N
MW286.71 g/mol
LogP2.54
Rot. Bonds7

About N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide

N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide (PubChem CID 7979841) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.71 g/mol. Its IUPAC name is N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-chloro-2-nitrophenoxy)acetamide
PubChem CID7979841
Molecular FormulaC12H15ClN2O4
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC NameN-butyl-2-(4-chloro-2-nitrophenoxy)acetamide
SMILESCCCCNC(=O)COc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15ClN2O4/c1-2-3-6-14-12(16)8-19-11-5-4-9(13)7-10(11)15(17)18/h4-5,7H,2-3,6,8H2,1H3,(H,14,16)
InChIKeyYDUJYKXYDIUYHI-UHFFFAOYSA-N
XLogP2.54
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(butylcarbamoyl)-2-(4-chloro-2-nitrophenoxy)acetamide
CID 27457451
N-butyl-2-(4-formyl-2-nitrophenoxy)acetamide
CID 40691331
[2-(butylamino)-2-oxoethyl] 4-chloro-2-nitrobenzoate
CID 2504665
2-(4-formyl-2-nitrophenoxy)-N-hexylacetamide
CID 8641057
2-(4-chloro-2-nitrophenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9484953
2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 26217578
2-[2-(aminomethyl)-4-chlorophenoxy]-N-butylacetamide
CID 54956381
2-(2-amino-5-chlorophenoxy)-N-butylacetamide
CID 62305003
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
2-(4-chloro-2-nitrophenoxy)-N-(4-chlorophenyl)acetamide
CID 7991150
2-(2-chloro-4-nitrophenoxy)-N-hexylacetamide
CID 8587910
N-(3-aminopropyl)-3-(4-chloro-2-nitrophenoxy)propanamide;hydrochloride
CID 119406880

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide?
The IUPAC name of N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide (CID 7979841) is N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide?
The canonical SMILES for N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide is CCCCNC(=O)COc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide?
The InChIKey is YDUJYKXYDIUYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-2-3-6-14-12(16)8-19-11-5-4-9(13)7-10(11)15(17)18/h4-5,7H,2-3,6,8H2,1H3,(H,14,16).
What are the key properties of N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide?
N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide has a molecular weight of 286.71 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-chloro-2-nitrophenoxy)acetamide is sourced from PubChem (CID 7979841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).