(2S)-2-amino-3-[2-[(2,6-dichlorophenyl)methyl]-4-hydroxyphenyl]propanamide

C16H16Cl2N2O2 — CID 57015175

IUPAC(2S)-2-amino-3-[2-[(2,6-dichlorophenyl)methyl]-4-hydroxyphenyl]propanamide
SMILESNC(=O)[C@@H](N)Cc1ccc(O)cc1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2N2O2/c17-13-2-1-3-14(18)12(13)7-10-6-11(21)5-4-9(10)8-15(19)16(20)22/h1-6,15,21H,7-8,19H2,(H2,20,22)/t15-/m0/s1
InChIKeyIRUCIUMODKUTIX-HNNXBMFYSA-N
MW339.22 g/mol
LogP2.64
Rot. Bonds5

About (2S)-2-amino-3-[2-[(2,6-dichlorophenyl)methyl]-4-hydroxyphenyl]propanamide

(2S)-2-amino-3-[2-[(2,6-dichlorophenyl)methyl]-4-hydroxyphenyl]propanamide (PubChem CID 57015175) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is (2S)-2-amino-3-[2-[(2,6-dichlorophenyl)methyl]-4-hydroxyphenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-[2-[(2,6-dichlorophenyl)methyl]-4-hydroxyphenyl]propanamide
PubChem CID57015175
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name(2S)-2-amino-3-[2-[(2,6-dichlorophenyl)methyl]-4-hydroxyphenyl]propanamide
SMILESNC(=O)[C@@H](N)Cc1ccc(O)cc1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2N2O2/c17-13-2-1-3-14(18)12(13)7-10-6-11(21)5-4-9(10)8-15(19)16(20)22/h1-6,15,21H,7-8,19H2,(H2,20,22)/t15-/m0/s1
InChIKeyIRUCIUMODKUTIX-HNNXBMFYSA-N
XLogP2.64
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2,6-dichloroanilino)propanamide
CID 103252602
methyl (2S)-2-amino-3-(2-benzyl-4-hydroxyphenyl)propanoate
CID 57157888
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide
CID 22946175
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066
2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 77067964
2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid
CID 5134354
(2R)-2-amino-4-(2-chloro-4-hydroxyphenyl)butanoic acid
CID 174797793
2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid
CID 117361170
4-(2-aminopropyl)-3-ethylphenol
CID 130001636
2-amino-3-(2-bromophenyl)propanamide
CID 15926062
2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 14211589

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[2-[(2,6-dichlorophenyl)methyl]-4-hydroxyphenyl]propanamide?
The IUPAC name of (2S)-2-amino-3-[2-[(2,6-dichlorophenyl)methyl]-4-hydroxyphenyl]propanamide (CID 57015175) is (2S)-2-amino-3-[2-[(2,6-dichlorophenyl)methyl]-4-hydroxyphenyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-[2-[(2,6-dichlorophenyl)methyl]-4-hydroxyphenyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-[2-[(2,6-dichlorophenyl)methyl]-4-hydroxyphenyl]propanamide is NC(=O)[C@@H](N)Cc1ccc(O)cc1Cc1c(Cl)cccc1Cl.
What is the InChIKey of (2S)-2-amino-3-[2-[(2,6-dichlorophenyl)methyl]-4-hydroxyphenyl]propanamide?
The InChIKey is IRUCIUMODKUTIX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c17-13-2-1-3-14(18)12(13)7-10-6-11(21)5-4-9(10)8-15(19)16(20)22/h1-6,15,21H,7-8,19H2,(H2,20,22)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-[2-[(2,6-dichlorophenyl)methyl]-4-hydroxyphenyl]propanamide?
(2S)-2-amino-3-[2-[(2,6-dichlorophenyl)methyl]-4-hydroxyphenyl]propanamide has a molecular weight of 339.22 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[2-[(2,6-dichlorophenyl)methyl]-4-hydroxyphenyl]propanamide is sourced from PubChem (CID 57015175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).