N-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide

C14H10ClFN2O4 — CID 139944390

IUPACN-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccccc2[N+](=O)[O-])c(Cl)cc1F
InChIInChI=1S/C14H10ClFN2O4/c1-8(19)17-11-7-14(9(15)6-10(11)16)22-13-5-3-2-4-12(13)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyRALHVSJURBKEGM-UHFFFAOYSA-N
MW324.70 g/mol
LogP4.14
Rot. Bonds4

About N-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide

N-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide (PubChem CID 139944390) has the molecular formula C14H10ClFN2O4 and a molecular weight of 324.70 g/mol. Its IUPAC name is N-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide
PubChem CID139944390
Molecular FormulaC14H10ClFN2O4
Molecular Weight324.70 g/mol
Exact Mass324.03
IUPAC NameN-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccccc2[N+](=O)[O-])c(Cl)cc1F
InChIInChI=1S/C14H10ClFN2O4/c1-8(19)17-11-7-14(9(15)6-10(11)16)22-13-5-3-2-4-12(13)18(20)21/h2-7H,1H3,(H,17,19)
InChIKeyRALHVSJURBKEGM-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-(2-chlorophenoxy)-5-fluoro-2-nitrophenyl]acetamide
CID 139715511
N-(2-chloro-4-fluoro-5-nitrophenyl)acetamide
CID 18365929
2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 4943784
N-[4-chloro-5-[(E)-3-chloroprop-2-enoxy]-2-fluorophenyl]-2-nitrobenzamide
CID 139226474
N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943656
N-[4-(2-fluorophenoxy)-5-(methanesulfonamido)-2-nitrophenyl]acetamide
CID 139622066
1,3,5-trichloro-2-(2-nitrophenoxy)benzene
CID 2306205
(1R)-1-[3-chloro-4-(2-nitrophenoxy)phenyl]ethanol
CID 63374618
N-(2,4-difluorophenyl)-3-(2-nitrophenoxy)thiophene-2-carboxamide
CID 2765194
1-[3-nitro-4-(2-nitrophenoxy)phenyl]ethanone
CID 9279079
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751407
1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone
CID 9212979

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide?
The IUPAC name of N-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide (CID 139944390) is N-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide?
The canonical SMILES for N-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide is CC(=O)Nc1cc(Oc2ccccc2[N+](=O)[O-])c(Cl)cc1F.
What is the InChIKey of N-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide?
The InChIKey is RALHVSJURBKEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O4/c1-8(19)17-11-7-14(9(15)6-10(11)16)22-13-5-3-2-4-12(13)18(20)21/h2-7H,1H3,(H,17,19).
What are the key properties of N-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide?
N-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]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-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]acetamide is sourced from PubChem (CID 139944390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).