2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide

C15H14Cl2N2O2 — CID 77067964

IUPAC2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c16-11-2-1-3-12(17)14(11)19-15(21)13(18)8-9-4-6-10(20)7-5-9/h1-7,13,20H,8,18H2,(H,19,21)
InChIKeyANPSISIFNBTETL-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.21
Rot. Bonds4

About 2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide

2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 77067964) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID77067964
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide
SMILESNC(Cc1ccc(O)cc1)C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c16-11-2-1-3-12(17)14(11)19-15(21)13(18)8-9-4-6-10(20)7-5-9/h1-7,13,20H,8,18H2,(H,19,21)
InChIKeyANPSISIFNBTETL-UHFFFAOYSA-N
XLogP3.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905306
(2S)-2-amino-N-(2-bromo-3-chlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 103479342
(2S)-2-amino-N-(3-chloro-2-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 61148914
(2R)-2-amino-N-(2-fluoro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905619
(2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide
CID 104905272
(2S)-2-amino-N-(3-bromo-2-hydroxyphenyl)-3-(4-hydroxyphenyl)propanamide
CID 81495580
(2R)-2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904689
(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
2-amino-N-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76887225
(2R)-2-amino-N-(2-chloro-5-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 107528596
2-amino-N-(2-chloro-4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76892216

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide (CID 77067964) is 2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide is NC(Cc1ccc(O)cc1)C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is ANPSISIFNBTETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-11-2-1-3-12(17)14(11)19-15(21)13(18)8-9-4-6-10(20)7-5-9/h1-7,13,20H,8,18H2,(H,19,21).
What are the key properties of 2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide?
2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 325.20 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 77067964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).