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

C15H14ClFN2O2 — CID 76887225

IUPAC2-amino-N-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H14ClFN2O2/c16-12-6-3-10(8-13(12)17)19-15(21)14(18)7-9-1-4-11(20)5-2-9/h1-6,8,14,20H,7,18H2,(H,19,21)
InChIKeyVYGJSQRIKYQCKI-UHFFFAOYSA-N
MW308.74 g/mol
LogP2.69
Rot. Bonds4

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

2-amino-N-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 76887225) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID76887225
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name2-amino-N-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H14ClFN2O2/c16-12-6-3-10(8-13(12)17)19-15(21)14(18)7-9-1-4-11(20)5-2-9/h1-6,8,14,20H,7,18H2,(H,19,21)
InChIKeyVYGJSQRIKYQCKI-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-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904585
2-amino-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891904
2-amino-N-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891970
(2R)-2-amino-N-(2-chloro-5-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 107528596
(2S)-2-amino-N-(4-chloro-3-fluorophenyl)butanamide;hydrochloride
CID 119281097
2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76892216
(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904689
(2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905420
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 104904568
(2S)-2-amino-N-(3-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 61148914
2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 77067964
(2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide
CID 104904818

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide (CID 76887225) is 2-amino-N-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide is NC(Cc1ccc(O)cc1)C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-amino-N-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is VYGJSQRIKYQCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c16-12-6-3-10(8-13(12)17)19-15(21)14(18)7-9-1-4-11(20)5-2-9/h1-6,8,14,20H,7,18H2,(H,19,21).
What are the key properties of 2-amino-N-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide?
2-amino-N-(4-chloro-3-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-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 76887225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).