2-[3-fluoro-4-(2-methoxyphenoxy)anilino]-N-(2-nitrophenyl)propanamide

C22H20FN3O5 — CID 60583006

IUPAC2-[3-fluoro-4-(2-methoxyphenoxy)anilino]-N-(2-nitrophenyl)propanamide
SMILESCOc1ccccc1Oc1ccc(NC(C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1F
InChIInChI=1S/C22H20FN3O5/c1-14(22(27)25-17-7-3-4-8-18(17)26(28)29)24-15-11-12-19(16(23)13-15)31-21-10-6-5-9-20(21)30-2/h3-14,24H,1-2H3,(H,25,27)
InChIKeyDGHAWGAUTKNTIU-UHFFFAOYSA-N
MW425.42 g/mol
LogP4.97
Rot. Bonds8

About 2-[3-fluoro-4-(2-methoxyphenoxy)anilino]-N-(2-nitrophenyl)propanamide

2-[3-fluoro-4-(2-methoxyphenoxy)anilino]-N-(2-nitrophenyl)propanamide (PubChem CID 60583006) has the molecular formula C22H20FN3O5 and a molecular weight of 425.42 g/mol. Its IUPAC name is 2-[3-fluoro-4-(2-methoxyphenoxy)anilino]-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-[3-fluoro-4-(2-methoxyphenoxy)anilino]-N-(2-nitrophenyl)propanamide
PubChem CID60583006
Molecular FormulaC22H20FN3O5
Molecular Weight425.42 g/mol
Exact Mass425.14
IUPAC Name2-[3-fluoro-4-(2-methoxyphenoxy)anilino]-N-(2-nitrophenyl)propanamide
SMILESCOc1ccccc1Oc1ccc(NC(C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1F
InChIInChI=1S/C22H20FN3O5/c1-14(22(27)25-17-7-3-4-8-18(17)26(28)29)24-15-11-12-19(16(23)13-15)31-21-10-6-5-9-20(21)30-2/h3-14,24H,1-2H3,(H,25,27)
InChIKeyDGHAWGAUTKNTIU-UHFFFAOYSA-N
XLogP4.97
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl]azanium
CID 9349371
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
2-(2-methoxyphenoxy)-N-(2-nitrophenyl)benzamide
CID 38114692
2-(3,4-dimethoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 78670468
2-[4-(2-methoxyphenoxy)anilino]-N-(3-nitrophenyl)propanamide
CID 134032594
(2S)-N-(2-fluorophenyl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 7928579
2-[3-(difluoromethoxy)-4-methoxyanilino]-N-(2-methylphenyl)propanamide
CID 24652308
2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 71939087
(2R)-2-(4-ethoxy-3-fluoroanilino)-N-(2-methylphenyl)propanamide
CID 94643771
[1-(2-nitroanilino)-1-oxopropan-2-yl] 4-amino-2-fluoro-5-methoxybenzoate
CID 71907749
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 4-amino-2-fluoro-5-methoxybenzoate
CID 97067723

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(2-methoxyphenoxy)anilino]-N-(2-nitrophenyl)propanamide?
The IUPAC name of 2-[3-fluoro-4-(2-methoxyphenoxy)anilino]-N-(2-nitrophenyl)propanamide (CID 60583006) is 2-[3-fluoro-4-(2-methoxyphenoxy)anilino]-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for 2-[3-fluoro-4-(2-methoxyphenoxy)anilino]-N-(2-nitrophenyl)propanamide?
The canonical SMILES for 2-[3-fluoro-4-(2-methoxyphenoxy)anilino]-N-(2-nitrophenyl)propanamide is COc1ccccc1Oc1ccc(NC(C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1F.
What is the InChIKey of 2-[3-fluoro-4-(2-methoxyphenoxy)anilino]-N-(2-nitrophenyl)propanamide?
The InChIKey is DGHAWGAUTKNTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O5/c1-14(22(27)25-17-7-3-4-8-18(17)26(28)29)24-15-11-12-19(16(23)13-15)31-21-10-6-5-9-20(21)30-2/h3-14,24H,1-2H3,(H,25,27).
What are the key properties of 2-[3-fluoro-4-(2-methoxyphenoxy)anilino]-N-(2-nitrophenyl)propanamide?
2-[3-fluoro-4-(2-methoxyphenoxy)anilino]-N-(2-nitrophenyl)propanamide has a molecular weight of 425.42 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(2-methoxyphenoxy)anilino]-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 60583006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).