(2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide

C9H10BrIN2O — CID 130163220

IUPAC(2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1ccc(I)c(Br)c1
InChIInChI=1S/C9H10BrIN2O/c1-5(12)9(14)13-6-2-3-8(11)7(10)4-6/h2-5H,12H2,1H3,(H,13,14)/t5-/m0/s1
InChIKeyAVLQVIMGAMJARD-YFKPBYRVSA-N
MW369.00 g/mol
LogP2.34
Rot. Bonds2

About (2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide

(2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide (PubChem CID 130163220) has the molecular formula C9H10BrIN2O and a molecular weight of 369.00 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide
PubChem CID130163220
Molecular FormulaC9H10BrIN2O
Molecular Weight369.00 g/mol
Exact Mass367.90
IUPAC Name(2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1ccc(I)c(Br)c1
InChIInChI=1S/C9H10BrIN2O/c1-5(12)9(14)13-6-2-3-8(11)7(10)4-6/h2-5H,12H2,1H3,(H,13,14)/t5-/m0/s1
InChIKeyAVLQVIMGAMJARD-YFKPBYRVSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.00
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(3-bromo-4-iodophenyl)propanamide
CID 130499859
2-amino-N-(3-bromo-4-methylphenyl)propanamide
CID 63334898
N-(3-bromo-4-iodophenyl)-2-carbamothioylbutanamide
CID 114262117
(2S)-2-amino-N-(3-bromo-4-nitrophenyl)propanamide
CID 82864467
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)propanamide;hydrochloride
CID 119290157
(2S)-2-amino-N-(3-iodophenyl)propanamide
CID 28882940
methyl 2-(3-bromo-4-iodoanilino)-2-oxoacetate
CID 130499995
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide
CID 130857652
(2R)-2-amino-N-(4-hydroxyphenyl)propanamide
CID 78972563
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide (CID 130163220) is (2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide is C[C@H](N)C(=O)Nc1ccc(I)c(Br)c1.
What is the InChIKey of (2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide?
The InChIKey is AVLQVIMGAMJARD-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10BrIN2O/c1-5(12)9(14)13-6-2-3-8(11)7(10)4-6/h2-5H,12H2,1H3,(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide?
(2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide has a molecular weight of 369.00 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide is sourced from PubChem (CID 130163220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).