(2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide

C9H10ClIN2O — CID 130498897

IUPAC(2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1cc(I)ccc1Cl
InChIInChI=1S/C9H10ClIN2O/c1-5(12)9(14)13-8-4-6(11)2-3-7(8)10/h2-5H,12H2,1H3,(H,13,14)/t5-/m0/s1
InChIKeyUBZGGUNBWWIOIZ-YFKPBYRVSA-N
MW324.55 g/mol
LogP2.23
Rot. Bonds2

About (2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide

(2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide (PubChem CID 130498897) has the molecular formula C9H10ClIN2O and a molecular weight of 324.55 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide
PubChem CID130498897
Molecular FormulaC9H10ClIN2O
Molecular Weight324.55 g/mol
Exact Mass323.95
IUPAC Name(2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1cc(I)ccc1Cl
InChIInChI=1S/C9H10ClIN2O/c1-5(12)9(14)13-8-4-6(11)2-3-7(8)10/h2-5H,12H2,1H3,(H,13,14)/t5-/m0/s1
InChIKeyUBZGGUNBWWIOIZ-YFKPBYRVSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.55
LogP ≤ 52.23
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-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
CID 119279638
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
(2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide
CID 78972381
3-[(2-chloro-5-iodophenyl)carbamoylamino]-2-methylbutanoic acid
CID 114260734
(2R)-2-amino-N-[2-chloro-5-(methanesulfonamido)phenyl]propanamide
CID 54995930
(2S,3R)-2-[(2-chloro-5-iodophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 114260735
3-amino-N-(2-chloro-5-iodophenyl)-2,2,3-trimethylbutanamide
CID 114259751
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride
CID 119262651
2-bromo-N-(2-chloro-4-iodophenyl)propanamide
CID 107903978
(2S)-2-amino-N-(3-iodophenyl)propanamide
CID 28882940
(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide (CID 130498897) is (2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide is C[C@H](N)C(=O)Nc1cc(I)ccc1Cl.
What is the InChIKey of (2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide?
The InChIKey is UBZGGUNBWWIOIZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10ClIN2O/c1-5(12)9(14)13-8-4-6(11)2-3-7(8)10/h2-5H,12H2,1H3,(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide?
(2S)-2-amino-N-(2-chloro-5-iodophenyl)propanamide has a molecular weight of 324.55 g/mol, XLogP of 2.23, 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-(2-chloro-5-iodophenyl)propanamide is sourced from PubChem (CID 130498897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).