N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide

C15H13FN2O4 — CID 7751875

IUPACN-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCc1cc(F)ccc1NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13FN2O4/c1-10-8-11(16)6-7-12(10)17-15(19)9-22-14-5-3-2-4-13(14)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyFWNFCCSRIDZFDS-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.06
Rot. Bonds5

About N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide

N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide (PubChem CID 7751875) has the molecular formula C15H13FN2O4 and a molecular weight of 304.28 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
PubChem CID7751875
Molecular FormulaC15H13FN2O4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
SMILESCc1cc(F)ccc1NC(=O)COc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13FN2O4/c1-10-8-11(16)6-7-12(10)17-15(19)9-22-14-5-3-2-4-13(14)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyFWNFCCSRIDZFDS-UHFFFAOYSA-N
XLogP3.06
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.06
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-(2-hydroxy-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 46663706
N-(2,3-dimethylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690891
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
[2-(2-methylanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626764
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 2626465
N-(2-chloro-4-methylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 2690934
N-(4-fluoro-2-methylphenyl)-4-[(2-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19501024
2-(5-fluoro-2-nitrophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7846247
2-(5-fluoro-2-nitrophenoxy)-N-(2-phenoxyphenyl)acetamide
CID 2690910
N-(4-chloro-2-fluorophenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 8873509

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide (CID 7751875) is N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide is Cc1cc(F)ccc1NC(=O)COc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide?
The InChIKey is FWNFCCSRIDZFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4/c1-10-8-11(16)6-7-12(10)17-15(19)9-22-14-5-3-2-4-13(14)18(20)21/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide?
N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide has a molecular weight of 304.28 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 7751875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).