2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide

C21H18FN3O4 — CID 9099796

IUPAC2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H18FN3O4/c22-19-11-8-17(12-20(19)25(27)28)23-13-21(26)24-16-6-9-18(10-7-16)29-14-15-4-2-1-3-5-15/h1-12,23H,13-14H2,(H,24,26)
InChIKeyMFMLQADYUBTKDL-UHFFFAOYSA-N
MW395.39 g/mol
LogP4.36
Rot. Bonds8

About 2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide

2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 9099796) has the molecular formula C21H18FN3O4 and a molecular weight of 395.39 g/mol. Its IUPAC name is 2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID9099796
Molecular FormulaC21H18FN3O4
Molecular Weight395.39 g/mol
Exact Mass395.13
IUPAC Name2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide
SMILESO=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H18FN3O4/c22-19-11-8-17(12-20(19)25(27)28)23-13-21(26)24-16-6-9-18(10-7-16)29-14-15-4-2-1-3-5-15/h1-12,23H,13-14H2,(H,24,26)
InChIKeyMFMLQADYUBTKDL-UHFFFAOYSA-N
XLogP4.36
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 54.36
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

[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 42966204
2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9099829
N-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 2656438
2-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 109010754
4-chloro-2-nitro-N-(4-phenylmethoxyphenyl)benzamide
CID 1105902
N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 9099793
N-naphthalen-2-yl-2-(4-phenylmethoxyanilino)acetamide
CID 54821756
N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 37220850
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54819265
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide (CID 9099796) is 2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide is O=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is MFMLQADYUBTKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O4/c22-19-11-8-17(12-20(19)25(27)28)23-13-21(26)24-16-6-9-18(10-7-16)29-14-15-4-2-1-3-5-15/h1-12,23H,13-14H2,(H,24,26).
What are the key properties of 2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide?
2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 395.39 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 9099796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).