N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide

C16H16FN3O4 — CID 33173731

IUPACN-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H16FN3O4/c1-24-15-7-6-13(20(22)23)8-14(15)18-10-16(21)19-9-11-2-4-12(17)5-3-11/h2-8,18H,9-10H2,1H3,(H,19,21)
InChIKeyFIZHWIYLIYNIKF-UHFFFAOYSA-N
MW333.32 g/mol
LogP2.47
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide

N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide (PubChem CID 33173731) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide
PubChem CID33173731
Molecular FormulaC16H16FN3O4
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H16FN3O4/c1-24-15-7-6-13(20(22)23)8-14(15)18-10-16(21)19-9-11-2-4-12(17)5-3-11/h2-8,18H,9-10H2,1H3,(H,19,21)
InChIKeyFIZHWIYLIYNIKF-UHFFFAOYSA-N
XLogP2.47
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-fluorophenyl)methyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931667
2-(4-fluoroanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9098658
N-(2-chloro-4-fluorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079826
2-(2-methoxy-5-nitroanilino)-N-(2-phenylethyl)acetamide
CID 33173643
N-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108531966
2-(2-methoxy-5-nitroanilino)-N-(propylcarbamoyl)acetamide
CID 33174069
N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-nitroaniline
CID 791677
2-methoxy-N-[(4-methylsulfanylphenyl)methyl]-5-nitroaniline
CID 775330
N-[4-(cyanomethyl)phenyl]-2-(2-methoxy-5-nitroanilino)acetamide
CID 26505664
1-[(4-bromophenyl)methyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108899563
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079831
2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26415999

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide (CID 33173731) is N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide is COc1ccc([N+](=O)[O-])cc1NCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide?
The InChIKey is FIZHWIYLIYNIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4/c1-24-15-7-6-13(20(22)23)8-14(15)18-10-16(21)19-9-11-2-4-12(17)5-3-11/h2-8,18H,9-10H2,1H3,(H,19,21).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide?
N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide has a molecular weight of 333.32 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-methoxy-5-nitroanilino)acetamide is sourced from PubChem (CID 33173731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).