N-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide

C9H8ClFN2O3 — CID 22411317

IUPACN-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide
SMILESCC(=O)Nc1cc(CF)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C9H8ClFN2O3/c1-5(14)12-8-2-6(4-11)7(10)3-9(8)13(15)16/h2-3H,4H2,1H3,(H,12,14)
InChIKeyRNSNYKROGMVVIN-UHFFFAOYSA-N
MW246.62 g/mol
LogP2.68
Rot. Bonds3

About N-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide

N-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide (PubChem CID 22411317) has the molecular formula C9H8ClFN2O3 and a molecular weight of 246.62 g/mol. Its IUPAC name is N-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide
PubChem CID22411317
Molecular FormulaC9H8ClFN2O3
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC NameN-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide
SMILESCC(=O)Nc1cc(CF)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C9H8ClFN2O3/c1-5(14)12-8-2-6(4-11)7(10)3-9(8)13(15)16/h2-3H,4H2,1H3,(H,12,14)
InChIKeyRNSNYKROGMVVIN-UHFFFAOYSA-N
XLogP2.68
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.62
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-5-ethyl-2-nitrophenyl)acetamide
CID 119091094
N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide
CID 18365929
N-(2-ethyl-6-nitro-1,3-dihydroisoindol-5-yl)acetamide
CID 25139889
N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide
CID 139715511
N-[4-chloro-2-nitro-5-(trifluoromethyl)phenyl]-2-oxobutanamide
CID 54411831
N-(2,3,4-trifluoro-5-nitrophenyl)acetamide
CID 156686573
1-(4-chloro-5-fluoro-2-nitrophenyl)propan-2-one
CID 66077079
N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide
CID 2780656
CID 59529888
CID 59529888
N,N'-bis(4,5-dichloro-2-nitrophenyl)ethane-1,2-diamine
CID 91716539
N-(5-chloro-4-fluoro-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 2779513
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]acetamide
CID 134828491

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide?
The IUPAC name of N-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide (CID 22411317) is N-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide.
What is the SMILES notation for N-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide?
The canonical SMILES for N-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide is CC(=O)Nc1cc(CF)c(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide?
The InChIKey is RNSNYKROGMVVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN2O3/c1-5(14)12-8-2-6(4-11)7(10)3-9(8)13(15)16/h2-3H,4H2,1H3,(H,12,14).
What are the key properties of N-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide?
N-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide has a molecular weight of 246.62 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide is sourced from PubChem (CID 22411317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).