N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide

C14H10ClFN2O4 — CID 139715511

IUPACN-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(Oc2ccccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10ClFN2O4/c1-8(19)17-11-6-10(16)14(7-12(11)18(20)21)22-13-5-3-2-4-9(13)15/h2-7H,1H3,(H,17,19)
InChIKeyXJXLMNVDWYAFHA-UHFFFAOYSA-N
MW324.70 g/mol
LogP4.14
Rot. Bonds4

About N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide

N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide (PubChem CID 139715511) has the molecular formula C14H10ClFN2O4 and a molecular weight of 324.70 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide
PubChem CID139715511
Molecular FormulaC14H10ClFN2O4
Molecular Weight324.70 g/mol
Exact Mass324.03
IUPAC NameN-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(Oc2ccccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H10ClFN2O4/c1-8(19)17-11-6-10(16)14(7-12(11)18(20)21)22-13-5-3-2-4-9(13)15/h2-7H,1H3,(H,17,19)
InChIKeyXJXLMNVDWYAFHA-UHFFFAOYSA-N
XLogP4.14
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.70
LogP ≤ 54.14
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

N-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide
CID 139944390
N-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide
CID 139622066
2-chloro-N-[4-(2-chlorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide
CID 22406118
1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone
CID 9212979
N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide
CID 18365929
N-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide
CID 22411317
[2-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)phenyl]methanamine
CID 114417401
2-chloro-6-(2-fluoro-5-methyl-4-nitrophenoxy)benzonitrile
CID 114416625
N-(4-chloro-5-ethyl-2-nitrophenyl)acetamide
CID 119091094
(E)-N-[2-(2-chlorophenoxy)phenyl]-3-(2-nitrophenyl)prop-2-enamide
CID 16568447
N-[4-chloro-5-(2,3-dichlorophenoxy)-2-nitrophenyl]-2-cyanoacetamide
CID 168521801
1-chloro-2-(2-chlorophenoxy)-4-methyl-5-nitrobenzene;2-chlorophenol;1,2-dichloro-4-methyl-5-nitrobenzene
CID 159310224

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide?
The IUPAC name of N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide (CID 139715511) is N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide.
What is the SMILES notation for N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide?
The canonical SMILES for N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide is CC(=O)Nc1cc(F)c(Oc2ccccc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide?
The InChIKey is XJXLMNVDWYAFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O4/c1-8(19)17-11-6-10(16)14(7-12(11)18(20)21)22-13-5-3-2-4-9(13)15/h2-7H,1H3,(H,17,19).
What are the key properties of N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide?
N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide has a molecular weight of 324.70 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide is sourced from PubChem (CID 139715511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).