N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide

C14H9ClF2N2O4 — CID 7707047

IUPACN-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)c(F)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H9ClF2N2O4/c15-10-3-1-8(5-13(10)19(21)22)18-14(20)7-23-9-2-4-11(16)12(17)6-9/h1-6H,7H2,(H,18,20)
InChIKeyQRSQWBZUDIDQLB-UHFFFAOYSA-N
MW342.69 g/mol
LogP3.54
Rot. Bonds5

About N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide

N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide (PubChem CID 7707047) has the molecular formula C14H9ClF2N2O4 and a molecular weight of 342.69 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide
PubChem CID7707047
Molecular FormulaC14H9ClF2N2O4
Molecular Weight342.69 g/mol
Exact Mass342.02
IUPAC NameN-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)c(F)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H9ClF2N2O4/c15-10-3-1-8(5-13(10)19(21)22)18-14(20)7-23-9-2-4-11(16)12(17)6-9/h1-6H,7H2,(H,18,20)
InChIKeyQRSQWBZUDIDQLB-UHFFFAOYSA-N
XLogP3.54
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.69
LogP ≤ 53.54
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'}

Analyze N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 26696782
N-(4-chloro-3-nitrophenyl)-2-(4-iodophenoxy)acetamide
CID 35987063
N-(4-amino-3-nitrophenyl)-2-(4-chlorophenoxy)acetamide
CID 23464321
N-(4-chloro-3-nitrophenyl)-2-(4-propylphenoxy)acetamide
CID 19173108
N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632328
methyl 2-[4-[2-(4-chloro-3-nitroanilino)-2-oxoethoxy]phenyl]acetate
CID 7695259
2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide
CID 8579924
ethyl N-[3-[2-(4-chloro-3-nitroanilino)-2-oxoethoxy]phenyl]carbamate
CID 29183038
2-(2,4-dichlorophenoxy)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 2500769
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-nitrophenoxy)acetamide
CID 138610698
2-(4-chlorophenoxy)-N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-4-nitrophenyl]acetamide
CID 4535018
N-(4-chloro-3-nitrophenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19173109

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide (CID 7707047) is N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide is O=C(COc1ccc(F)c(F)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide?
The InChIKey is QRSQWBZUDIDQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2O4/c15-10-3-1-8(5-13(10)19(21)22)18-14(20)7-23-9-2-4-11(16)12(17)6-9/h1-6H,7H2,(H,18,20).
What are the key properties of N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide?
N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide has a molecular weight of 342.69 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide is sourced from PubChem (CID 7707047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).