N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide

C8H6ClFN2O3 — CID 18365929

IUPACN-(2-chloro-4-fluoro-5-nitrophenyl)acetamide
SMILESCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1Cl
InChIInChI=1S/C8H6ClFN2O3/c1-4(13)11-7-3-8(12(14)15)6(10)2-5(7)9/h2-3H,1H3,(H,11,13)
InChIKeyIFVKYFCXCPNFJI-UHFFFAOYSA-N
MW232.60 g/mol
LogP2.35
Rot. Bonds2

About N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide

N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide (PubChem CID 18365929) has the molecular formula C8H6ClFN2O3 and a molecular weight of 232.60 g/mol. Its IUPAC name is N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluoro-5-nitrophenyl)acetamide
PubChem CID18365929
Molecular FormulaC8H6ClFN2O3
Molecular Weight232.60 g/mol
Exact Mass232.01
IUPAC NameN-(2-chloro-4-fluoro-5-nitrophenyl)acetamide
SMILESCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1Cl
InChIInChI=1S/C8H6ClFN2O3/c1-4(13)11-7-3-8(12(14)15)6(10)2-5(7)9/h2-3H,1H3,(H,11,13)
InChIKeyIFVKYFCXCPNFJI-UHFFFAOYSA-N
XLogP2.35
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.60
LogP ≤ 52.35
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

1-(2-chloro-4-fluoro-5-nitrophenyl)ethanone
CID 18314484
N-(2,3,4-trifluoro-5-nitrophenyl)acetamide
CID 156686573
(2-acetamido-4-fluoro-5-nitrophenyl)methylideneazanium
CID 142836169
N-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide
CID 139944390
N-[4-chloro-5-(fluoromethyl)-2-nitrophenyl]acetamide
CID 22411317
2-chloro-4-fluoro-5-nitrobenzoyl iodide
CID 167464714
N-(4-chloro-5-ethyl-2-nitrophenyl)acetamide
CID 119091094
4-bromo-1-fluoro-2-nitrobenzene;N-(5-bromo-2-fluorophenyl)acetamide
CID 159218449
acetic acid;1,2,4-trifluoro-5-nitrobenzene
CID 174830046
N-[4-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide
CID 139715511
4-acetamido-6-nitrobenzene-1,3-disulfonyl chloride
CID 163601250
1,4-difluoro-2,5-dinitrobenzene
CID 14951568

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide?
The IUPAC name of N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide (CID 18365929) is N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide?
The canonical SMILES for N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide is CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide?
The InChIKey is IFVKYFCXCPNFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN2O3/c1-4(13)11-7-3-8(12(14)15)6(10)2-5(7)9/h2-3H,1H3,(H,11,13).
What are the key properties of N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide?
N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide has a molecular weight of 232.60 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide is sourced from PubChem (CID 18365929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).