2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide

C15H14ClFN2O2 — CID 76892216

IUPAC2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H14ClFN2O2/c16-12-8-10(17)3-6-14(12)19-15(21)13(18)7-9-1-4-11(20)5-2-9/h1-6,8,13,20H,7,18H2,(H,19,21)
InChIKeyYRFYUZYZMOUANJ-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.69
Rot. Bonds4

About 2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide

2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 76892216) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID76892216
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H14ClFN2O2/c16-12-8-10(17)3-6-14(12)19-15(21)13(18)7-9-1-4-11(20)5-2-9/h1-6,8,13,20H,7,18H2,(H,19,21)
InChIKeyYRFYUZYZMOUANJ-UHFFFAOYSA-N
XLogP2.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904689
(2R)-2-amino-N-(2-chloro-5-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 107528596
(2R)-2-amino-N-(4-bromo-2-chlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904692
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904678
(2S)-2-amino-N-(3-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 61148914
2-amino-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891904
2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
2-amino-N-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891970
2-amino-N-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76887225
(2S)-2-amino-N-(5-bromo-2-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 61154211
(2S)-2-amino-N-(2-bromo-3-chlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 103479342
2-amino-N-(2-chloro-4-fluorophenyl)-4-methoxybutanamide
CID 55081012

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide (CID 76892216) is 2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide is NC(Cc1ccc(O)cc1)C(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is YRFYUZYZMOUANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-12-8-10(17)3-6-14(12)19-15(21)13(18)7-9-1-4-11(20)5-2-9/h1-6,8,13,20H,7,18H2,(H,19,21).
What are the key properties of 2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide?
2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 308.74 g/mol, XLogP of 2.69, 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-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 76892216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).