2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide

C15H14FN3O3 — CID 133311026

IUPAC2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide
SMILESCC(Nc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1
InChIInChI=1S/C15H14FN3O3/c1-10(15(20)18-11-5-3-2-4-6-11)17-14-8-7-12(19(21)22)9-13(14)16/h2-10,17H,1H3,(H,18,20)
InChIKeyGDYCKXQKXNRKJS-UHFFFAOYSA-N
MW303.29 g/mol
LogP3.17
Rot. Bonds5

About 2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide

2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide (PubChem CID 133311026) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide
PubChem CID133311026
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide
SMILESCC(Nc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1
InChIInChI=1S/C15H14FN3O3/c1-10(15(20)18-11-5-3-2-4-6-11)17-14-8-7-12(19(21)22)9-13(14)16/h2-10,17H,1H3,(H,18,20)
InChIKeyGDYCKXQKXNRKJS-UHFFFAOYSA-N
XLogP3.17
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 53.17
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

(2S)-2-[2-nitro-4-(trifluoromethyl)anilino]-N-phenylpropanamide
CID 7610238
2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide
CID 47005812
2-(2-fluoro-4-nitroanilino)-1-piperidin-1-ylpropan-1-one
CID 115587014
(2R)-2-(2-fluoro-4-nitroanilino)propan-1-ol
CID 16659475
2-(2,3-dimethylanilino)-N-(4-nitrophenyl)propanamide
CID 46799647
3-(ethylamino)-N-(2-fluoro-4-nitrophenyl)-2-methylpropanamide
CID 62837323
2-(2-fluoro-4-nitroanilino)pentanoic acid
CID 43631350
2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide
CID 32737357
2-(3,4-difluoroanilino)-N-phenylpropanamide
CID 43088769
(2R)-2-(3-nitroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 9274223
(2S)-2-(3-nitroanilino)-N-(2-phenylphenyl)propanamide
CID 9345580
3-(2-fluoro-4-nitroanilino)-2-methylpropanoic acid
CID 62675552

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide?
The IUPAC name of 2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide (CID 133311026) is 2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide.
What is the SMILES notation for 2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide?
The canonical SMILES for 2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide is CC(Nc1ccc([N+](=O)[O-])cc1F)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide?
The InChIKey is GDYCKXQKXNRKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-10(15(20)18-11-5-3-2-4-6-11)17-14-8-7-12(19(21)22)9-13(14)16/h2-10,17H,1H3,(H,18,20).
What are the key properties of 2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide?
2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide has a molecular weight of 303.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide is sourced from PubChem (CID 133311026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).