(2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide

C11H13Br3N2O — CID 107568149

IUPAC(2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C11H13Br3N2O/c1-2-3-9(15)11(17)16-10-7(13)4-6(12)5-8(10)14/h4-5,9H,2-3,15H2,1H3,(H,16,17)/t9-/m0/s1
InChIKeyJDXAIHCIQTWTPB-VIFPVBQESA-N
MW428.95 g/mol
LogP4.04
Rot. Bonds4

About (2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide

(2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide (PubChem CID 107568149) has the molecular formula C11H13Br3N2O and a molecular weight of 428.95 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide
PubChem CID107568149
Molecular FormulaC11H13Br3N2O
Molecular Weight428.95 g/mol
Exact Mass425.86
IUPAC Name(2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C11H13Br3N2O/c1-2-3-9(15)11(17)16-10-7(13)4-6(12)5-8(10)14/h4-5,9H,2-3,15H2,1H3,(H,16,17)/t9-/m0/s1
InChIKeyJDXAIHCIQTWTPB-VIFPVBQESA-N
XLogP4.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.95
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
2-amino-N-(2,4,6-trichlorophenyl)pentanamide
CID 43650225
(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide
CID 103793966
(2R)-2-amino-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 107570332
2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)pentanamide
CID 119344118
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide
CID 107625667
4-[[(2S)-2-aminopentanoyl]amino]-3-bromobenzoic acid
CID 113342221
3-[[(2R)-2-aminopentanoyl]amino]-4-bromobenzoic acid
CID 114003951
2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119301241
2-amino-N-(4-bromophenyl)hexanamide
CID 60852203
(2R)-2-amino-N-(2,6-dibromo-4-methylphenyl)-4-methylpentanamide
CID 28991563
(2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide
CID 113264050

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide (CID 107568149) is (2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide is CCC[C@H](N)C(=O)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of (2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide?
The InChIKey is JDXAIHCIQTWTPB-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13Br3N2O/c1-2-3-9(15)11(17)16-10-7(13)4-6(12)5-8(10)14/h4-5,9H,2-3,15H2,1H3,(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide?
(2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide has a molecular weight of 428.95 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide is sourced from PubChem (CID 107568149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).