2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide

C15H11F4N3O3 — CID 9099829

IUPAC2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F4N3O3/c16-12-6-5-11(7-13(12)22(24)25)20-8-14(23)21-10-3-1-9(2-4-10)15(17,18)19/h1-7,20H,8H2,(H,21,23)
InChIKeyQQXFOTLIIQNGBO-UHFFFAOYSA-N
MW357.26 g/mol
LogP3.80
Rot. Bonds5

About 2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 9099829) has the molecular formula C15H11F4N3O3 and a molecular weight of 357.26 g/mol. Its IUPAC name is 2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID9099829
Molecular FormulaC15H11F4N3O3
Molecular Weight357.26 g/mol
Exact Mass357.07
IUPAC Name2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F4N3O3/c16-12-6-5-11(7-13(12)22(24)25)20-8-14(23)21-10-3-1-9(2-4-10)15(17,18)19/h1-7,20H,8H2,(H,21,23)
InChIKeyQQXFOTLIIQNGBO-UHFFFAOYSA-N
XLogP3.80
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.26
LogP ≤ 53.80
H-Bond Donors ≤ 52
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-(4-acetylphenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 2656438
N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 9099793
2-(4-fluoro-3-nitroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 9099796
2-(4-fluoro-3-nitroanilino)-N-propylacetamide
CID 32897607
N-(4-fluoro-3-nitrophenyl)-4-(trifluoromethyl)benzenecarbothioamide
CID 72942556
2-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 40715000
2-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 9212200
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
2-(5-fluoro-2-nitrophenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7846238
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
2-(2-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 956534
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009821

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 9099829) is 2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QQXFOTLIIQNGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N3O3/c16-12-6-5-11(7-13(12)22(24)25)20-8-14(23)21-10-3-1-9(2-4-10)15(17,18)19/h1-7,20H,8H2,(H,21,23).
What are the key properties of 2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 357.26 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-nitroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 9099829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).