N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide

C14H10F2N2O4 — CID 2632328

IUPACN-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H10F2N2O4/c15-12-6-1-9(7-13(12)16)17-14(19)8-22-11-4-2-10(3-5-11)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyRSLWWMDMUGYVRN-UHFFFAOYSA-N
MW308.24 g/mol
LogP2.89
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide

N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 2632328) has the molecular formula C14H10F2N2O4 and a molecular weight of 308.24 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
PubChem CID2632328
Molecular FormulaC14H10F2N2O4
Molecular Weight308.24 g/mol
Exact Mass308.06
IUPAC NameN-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H10F2N2O4/c15-12-6-1-9(7-13(12)16)17-14(19)8-22-11-4-2-10(3-5-11)18(20)21/h1-7H,8H2,(H,17,19)
InChIKeyRSLWWMDMUGYVRN-UHFFFAOYSA-N
XLogP2.89
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 52.89
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

2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
2-(3-chloro-4-fluorophenoxy)-N-(4-nitrophenyl)acetamide
CID 8579924
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
N-(3,4-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 7613478
2-(4-acetamidophenoxy)-N-(3,4-difluorophenyl)acetamide
CID 7203483
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
N-(4-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632419
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-(4-chloro-3-nitrophenyl)-2-(3,4-difluorophenoxy)acetamide
CID 7707047
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide (CID 2632328) is N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is RSLWWMDMUGYVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O4/c15-12-6-1-9(7-13(12)16)17-14(19)8-22-11-4-2-10(3-5-11)18(20)21/h1-7H,8H2,(H,17,19).
What are the key properties of N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide?
N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 308.24 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 2632328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).