3-amino-N-(2-iodo-5-methoxyphenyl)propanamide

C10H13IN2O2 — CID 119307883

IUPAC3-amino-N-(2-iodo-5-methoxyphenyl)propanamide
SMILESCOc1ccc(I)c(NC(=O)CCN)c1
InChIInChI=1S/C10H13IN2O2/c1-15-7-2-3-8(11)9(6-7)13-10(14)4-5-12/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyZXMPPFFJAJGTQP-UHFFFAOYSA-N
MW320.13 g/mol
LogP1.59
Rot. Bonds4

About 3-amino-N-(2-iodo-5-methoxyphenyl)propanamide

3-amino-N-(2-iodo-5-methoxyphenyl)propanamide (PubChem CID 119307883) has the molecular formula C10H13IN2O2 and a molecular weight of 320.13 g/mol. Its IUPAC name is 3-amino-N-(2-iodo-5-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-iodo-5-methoxyphenyl)propanamide
PubChem CID119307883
Molecular FormulaC10H13IN2O2
Molecular Weight320.13 g/mol
Exact Mass320.00
IUPAC Name3-amino-N-(2-iodo-5-methoxyphenyl)propanamide
SMILESCOc1ccc(I)c(NC(=O)CCN)c1
InChIInChI=1S/C10H13IN2O2/c1-15-7-2-3-8(11)9(6-7)13-10(14)4-5-12/h2-3,6H,4-5,12H2,1H3,(H,13,14)
InChIKeyZXMPPFFJAJGTQP-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-iodo-5-methoxyphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119756577
3-amino-N-(2-ethoxy-5-methoxyphenyl)propanamide
CID 119318009
(2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide
CID 119307887
2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride
CID 119307884
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
5-amino-N-(2-hydroxy-4-methoxyphenyl)pentanamide
CID 102695132
N-[2-(4-aminobutanoylamino)-4-methoxyphenyl]-4-methylbenzamide
CID 39194039
N,N'-bis(5-methoxy-2-methylphenyl)decanediamide
CID 10670784
N-(2,5-dimethoxyphenyl)-3-(4-methoxyphenoxy)propanamide
CID 17034633
6-amino-N-(2-hydroxy-4-methoxyphenyl)-4,4-dimethylhexanamide
CID 102695165
3-bromo-N-(5-methoxy-2-methylphenyl)propanamide
CID 130496323
N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide
CID 62416404

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-iodo-5-methoxyphenyl)propanamide?
The IUPAC name of 3-amino-N-(2-iodo-5-methoxyphenyl)propanamide (CID 119307883) is 3-amino-N-(2-iodo-5-methoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-iodo-5-methoxyphenyl)propanamide?
The canonical SMILES for 3-amino-N-(2-iodo-5-methoxyphenyl)propanamide is COc1ccc(I)c(NC(=O)CCN)c1.
What is the InChIKey of 3-amino-N-(2-iodo-5-methoxyphenyl)propanamide?
The InChIKey is ZXMPPFFJAJGTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O2/c1-15-7-2-3-8(11)9(6-7)13-10(14)4-5-12/h2-3,6H,4-5,12H2,1H3,(H,13,14).
What are the key properties of 3-amino-N-(2-iodo-5-methoxyphenyl)propanamide?
3-amino-N-(2-iodo-5-methoxyphenyl)propanamide has a molecular weight of 320.13 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-iodo-5-methoxyphenyl)propanamide is sourced from PubChem (CID 119307883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).