2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide

C16H17FN2O2 — CID 76892554

IUPAC2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide
SMILESCc1ccc(F)c(NC(=O)C(N)Cc2ccc(O)cc2)c1
InChIInChI=1S/C16H17FN2O2/c1-10-2-7-13(17)15(8-10)19-16(21)14(18)9-11-3-5-12(20)6-4-11/h2-8,14,20H,9,18H2,1H3,(H,19,21)
InChIKeyWGHULKSIIDQVMF-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.35
Rot. Bonds4

About 2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide

2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 76892554) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID76892554
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide
SMILESCc1ccc(F)c(NC(=O)C(N)Cc2ccc(O)cc2)c1
InChIInChI=1S/C16H17FN2O2/c1-10-2-7-13(17)15(8-10)19-16(21)14(18)9-11-3-5-12(20)6-4-11/h2-8,14,20H,9,18H2,1H3,(H,19,21)
InChIKeyWGHULKSIIDQVMF-UHFFFAOYSA-N
XLogP2.35
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(5-bromo-2-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 61154211
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904678
(2S)-2-amino-N-(2-fluoro-5-methylphenyl)butanamide
CID 79025128
N-(2-fluoro-5-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838557
(2R)-2-amino-N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904585
(2R)-2-amino-N-(2-chloro-5-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 107528596
(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904689
2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76892216
(2R)-2-amino-N-(2-fluoro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905619
2-amino-N-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891970
2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide
CID 81081841
(2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 61149131

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide (CID 76892554) is 2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide is Cc1ccc(F)c(NC(=O)C(N)Cc2ccc(O)cc2)c1.
What is the InChIKey of 2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is WGHULKSIIDQVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-2-7-13(17)15(8-10)19-16(21)14(18)9-11-3-5-12(20)6-4-11/h2-8,14,20H,9,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide?
2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 288.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-fluoro-5-methylphenyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 76892554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).