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

C16H14FN3O4 — CID 2656438

IUPACN-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide
SMILESCC(=O)c1ccc(NC(=O)CNc2ccc(F)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H14FN3O4/c1-10(21)11-2-4-12(5-3-11)19-16(22)9-18-13-6-7-14(17)15(8-13)20(23)24/h2-8,18H,9H2,1H3,(H,19,22)
InChIKeyOAGJYIDVKLRXPL-UHFFFAOYSA-N
MW331.30 g/mol
LogP2.99
Rot. Bonds6

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

N-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide (PubChem CID 2656438) has the molecular formula C16H14FN3O4 and a molecular weight of 331.30 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide
PubChem CID2656438
Molecular FormulaC16H14FN3O4
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC NameN-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide
SMILESCC(=O)c1ccc(NC(=O)CNc2ccc(F)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C16H14FN3O4/c1-10(21)11-2-4-12(5-3-11)19-16(22)9-18-13-6-7-14(17)15(8-13)20(23)24/h2-8,18H,9H2,1H3,(H,19,22)
InChIKeyOAGJYIDVKLRXPL-UHFFFAOYSA-N
XLogP2.99
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 52.99
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)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9099829
N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 9099793
2-(4-fluoro-3-nitroanilino)-N-propylacetamide
CID 32897607
2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 9099796
2-(4-acetamidophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide
CID 2080436
2-(4-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9079945
2-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 40715000
2-(4-chloro-3-nitroanilino)-N-(4-methylphenyl)acetamide
CID 18078607
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 9212079

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide (CID 2656438) is N-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide is CC(=O)c1ccc(NC(=O)CNc2ccc(F)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide?
The InChIKey is OAGJYIDVKLRXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4/c1-10(21)11-2-4-12(5-3-11)19-16(22)9-18-13-6-7-14(17)15(8-13)20(23)24/h2-8,18H,9H2,1H3,(H,19,22).
What are the key properties of N-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide?
N-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide has a molecular weight of 331.30 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide is sourced from PubChem (CID 2656438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).