2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide

C15H14FN3O3 — CID 47005812

IUPAC2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide
SMILESCC(Nc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14FN3O3/c1-10(17-12-4-2-11(16)3-5-12)15(20)18-13-6-8-14(9-7-13)19(21)22/h2-10,17H,1H3,(H,18,20)
InChIKeyCHVGYCIKMXOCBJ-UHFFFAOYSA-N
MW303.29 g/mol
LogP3.17
Rot. Bonds5

About 2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide

2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide (PubChem CID 47005812) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide
PubChem CID47005812
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide
SMILESCC(Nc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14FN3O3/c1-10(17-12-4-2-11(16)3-5-12)15(20)18-13-6-8-14(9-7-13)19(21)22/h2-10,17H,1H3,(H,18,20)
InChIKeyCHVGYCIKMXOCBJ-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

2-methyl-N-[4-[[(2R)-1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]propanamide
CID 32737357
4-chloro-N-[4-[[1-(4-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 60582964
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345
(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(4-nitrophenyl)propanamide
CID 25408377
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-nitroaniline
CID 30226768
(2S)-2-(4-nitroanilino)propanoic acid;hydrochloride
CID 69175766
2-(4-nitroanilino)propanamide
CID 43400796
2-(2,3-dimethylanilino)-N-(4-nitrophenyl)propanamide
CID 46799647
2-(2-fluoro-4-nitroanilino)-N-phenylpropanamide
CID 133311026
N-[4-[[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]amino]phenyl]-2-methylpropanamide
CID 55351370

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide?
The IUPAC name of 2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide (CID 47005812) is 2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide is CC(Nc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide?
The InChIKey is CHVGYCIKMXOCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c1-10(17-12-4-2-11(16)3-5-12)15(20)18-13-6-8-14(9-7-13)19(21)22/h2-10,17H,1H3,(H,18,20).
What are the key properties of 2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide?
2-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide 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-(4-fluoroanilino)-N-(4-nitrophenyl)propanamide is sourced from PubChem (CID 47005812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).