2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride

C11H15ClIN3O2 — CID 119955707

IUPAC2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride
SMILESCc1cc(I)ccc1NC(=O)C(N)CC(N)=O.Cl
InChIInChI=1S/C11H14IN3O2.ClH/c1-6-4-7(12)2-3-9(6)15-11(17)8(13)5-10(14)16;/h2-4,8H,5,13H2,1H3,(H2,14,16)(H,15,17);1H
InChIKeyPNYCYGDDAVSEAC-UHFFFAOYSA-N
MW383.62 g/mol
LogP1.16
Rot. Bonds4

About 2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride

2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride (PubChem CID 119955707) has the molecular formula C11H15ClIN3O2 and a molecular weight of 383.62 g/mol. Its IUPAC name is 2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride
PubChem CID119955707
Molecular FormulaC11H15ClIN3O2
Molecular Weight383.62 g/mol
Exact Mass382.99
IUPAC Name2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride
SMILESCc1cc(I)ccc1NC(=O)C(N)CC(N)=O.Cl
InChIInChI=1S/C11H14IN3O2.ClH/c1-6-4-7(12)2-3-9(6)15-11(17)8(13)5-10(14)16;/h2-4,8H,5,13H2,1H3,(H2,14,16)(H,15,17);1H
InChIKeyPNYCYGDDAVSEAC-UHFFFAOYSA-N
XLogP1.16
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.62
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(4-iodo-2-methylphenyl)-3-phenylpropanamide
CID 43708097
(2S)-2-amino-N-(4-iodo-2-methylphenyl)-4-phenylbutanamide
CID 104983994
3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide
CID 106111632
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135
2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide
CID 107471361
2-amino-N-(4-fluoro-2-iodophenyl)butanediamide
CID 79766618
1-(4-iodo-2-methylphenyl)-3-methylurea
CID 47127604
4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
CID 81075652
(2S)-2-amino-N-[2-(4-iodo-2-methylanilino)-2-oxoethyl]-3-methylbutanamide
CID 82961519
2-amino-N-(4-chloro-2-fluorophenyl)butanediamide
CID 54928613
2-amino-N-(2,4-dimethylphenyl)-3-methoxypropanamide
CID 81082397
4-(2-aminobutanoylamino)-3-methylbenzamide
CID 43706667

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride (CID 119955707) is 2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride is Cc1cc(I)ccc1NC(=O)C(N)CC(N)=O.Cl.
What is the InChIKey of 2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride?
The InChIKey is PNYCYGDDAVSEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2.ClH/c1-6-4-7(12)2-3-9(6)15-11(17)8(13)5-10(14)16;/h2-4,8H,5,13H2,1H3,(H2,14,16)(H,15,17);1H.
What are the key properties of 2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride?
2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride has a molecular weight of 383.62 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride is sourced from PubChem (CID 119955707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).