3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide

C21H19FN2O2 — CID 138674608

IUPAC3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide
SMILESO=C(CCNc1ccc(-c2ccccc2F)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C21H19FN2O2/c22-20-4-2-1-3-19(20)15-5-7-16(8-6-15)23-14-13-21(26)24-17-9-11-18(25)12-10-17/h1-12,23,25H,13-14H2,(H,24,26)
InChIKeyFVSRUVIDHXBRBQ-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.64
Rot. Bonds6

About 3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide

3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide (PubChem CID 138674608) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide
PubChem CID138674608
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide
SMILESO=C(CCNc1ccc(-c2ccccc2F)cc1)Nc1ccc(O)cc1
InChIInChI=1S/C21H19FN2O2/c22-20-4-2-1-3-19(20)15-5-7-16(8-6-15)23-14-13-21(26)24-17-9-11-18(25)12-10-17/h1-12,23,25H,13-14H2,(H,24,26)
InChIKeyFVSRUVIDHXBRBQ-UHFFFAOYSA-N
XLogP4.64
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-fluorophenyl)phenoxy]-N-(4-hydroxyphenyl)propanamide
CID 138674441
4-[4-(2-fluorophenyl)phenyl]-N-(4-methylphenyl)butanamide
CID 162181441
3-(2-fluoroanilino)-N-(4-methylphenyl)propanamide
CID 109034353
3-amino-N-(4-hydroxyphenyl)propanamide
CID 43710647
3-(4-acetamidoanilino)-N-(2-fluorophenyl)propanamide
CID 109037500
2-(2-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28739611
N-phenyl-3-(2,3,4-trifluoroanilino)propanamide
CID 109033887
N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide
CID 110437211
3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109037756
N-[4-(diethylamino)phenyl]-3-(2-fluoroanilino)propanamide
CID 109037588
N-(4-hydroxyphenyl)-3-phenylpropanamide
CID 836055
N-(4-bromophenyl)-3-(4-chloroanilino)propanamide
CID 109038187

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide?
The IUPAC name of 3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide (CID 138674608) is 3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide is O=C(CCNc1ccc(-c2ccccc2F)cc1)Nc1ccc(O)cc1.
What is the InChIKey of 3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide?
The InChIKey is FVSRUVIDHXBRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c22-20-4-2-1-3-19(20)15-5-7-16(8-6-15)23-14-13-21(26)24-17-9-11-18(25)12-10-17/h1-12,23,25H,13-14H2,(H,24,26).
What are the key properties of 3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide?
3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide has a molecular weight of 350.39 g/mol, XLogP of 4.64, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)anilino]-N-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 138674608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).