2-amino-3-(3,5-dibromophenyl)-N-(2-hydroxy-1-phenylethyl)propanamide

C17H18Br2N2O2 — CID 167990783

IUPAC2-amino-3-(3,5-dibromophenyl)-N-(2-hydroxy-1-phenylethyl)propanamide
SMILESNC(Cc1cc(Br)cc(Br)c1)C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C17H18Br2N2O2/c18-13-6-11(7-14(19)9-13)8-15(20)17(23)21-16(10-22)12-4-2-1-3-5-12/h1-7,9,15-16,22H,8,10,20H2,(H,21,23)
InChIKeyGUGAJTMPCXERCL-UHFFFAOYSA-N
MW442.15 g/mol
LogP2.93
Rot. Bonds6

About 2-amino-3-(3,5-dibromophenyl)-N-(2-hydroxy-1-phenylethyl)propanamide

2-amino-3-(3,5-dibromophenyl)-N-(2-hydroxy-1-phenylethyl)propanamide (PubChem CID 167990783) has the molecular formula C17H18Br2N2O2 and a molecular weight of 442.15 g/mol. Its IUPAC name is 2-amino-3-(3,5-dibromophenyl)-N-(2-hydroxy-1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(3,5-dibromophenyl)-N-(2-hydroxy-1-phenylethyl)propanamide
PubChem CID167990783
Molecular FormulaC17H18Br2N2O2
Molecular Weight442.15 g/mol
Exact Mass439.97
IUPAC Name2-amino-3-(3,5-dibromophenyl)-N-(2-hydroxy-1-phenylethyl)propanamide
SMILESNC(Cc1cc(Br)cc(Br)c1)C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C17H18Br2N2O2/c18-13-6-11(7-14(19)9-13)8-15(20)17(23)21-16(10-22)12-4-2-1-3-5-12/h1-7,9,15-16,22H,8,10,20H2,(H,21,23)
InChIKeyGUGAJTMPCXERCL-UHFFFAOYSA-N
XLogP2.93
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.15
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenylpropanamide
CID 107863190
2-amino-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 63183868
(2R)-2-amino-3-phenyl-N-(1-phenylpropyl)propanamide
CID 78988694
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpentanamide
CID 107863311
2-amino-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63183565
2-amino-N-(2-hydroxy-1-phenylethyl)hexanamide
CID 63183660
1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71655407
(3S)-3-[[(2S,3R,4R,5S)-5-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid
CID 11113716
2-amino-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbutanamide
CID 114010258
(2S)-2-hydroxy-N-(2-hydroxy-1-phenylethyl)-2-phenylacetamide
CID 75483745
(2S)-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 97340411
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-phenylacetamide
CID 107862713

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,5-dibromophenyl)-N-(2-hydroxy-1-phenylethyl)propanamide?
The IUPAC name of 2-amino-3-(3,5-dibromophenyl)-N-(2-hydroxy-1-phenylethyl)propanamide (CID 167990783) is 2-amino-3-(3,5-dibromophenyl)-N-(2-hydroxy-1-phenylethyl)propanamide.
What is the SMILES notation for 2-amino-3-(3,5-dibromophenyl)-N-(2-hydroxy-1-phenylethyl)propanamide?
The canonical SMILES for 2-amino-3-(3,5-dibromophenyl)-N-(2-hydroxy-1-phenylethyl)propanamide is NC(Cc1cc(Br)cc(Br)c1)C(=O)NC(CO)c1ccccc1.
What is the InChIKey of 2-amino-3-(3,5-dibromophenyl)-N-(2-hydroxy-1-phenylethyl)propanamide?
The InChIKey is GUGAJTMPCXERCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Br2N2O2/c18-13-6-11(7-14(19)9-13)8-15(20)17(23)21-16(10-22)12-4-2-1-3-5-12/h1-7,9,15-16,22H,8,10,20H2,(H,21,23).
What are the key properties of 2-amino-3-(3,5-dibromophenyl)-N-(2-hydroxy-1-phenylethyl)propanamide?
2-amino-3-(3,5-dibromophenyl)-N-(2-hydroxy-1-phenylethyl)propanamide has a molecular weight of 442.15 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,5-dibromophenyl)-N-(2-hydroxy-1-phenylethyl)propanamide is sourced from PubChem (CID 167990783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).