N-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide

C16H17IN2O2 — CID 43327286

IUPACN-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide
SMILESCc1c(N)cccc1NC(=O)C(C)Oc1ccc(I)cc1
InChIInChI=1S/C16H17IN2O2/c1-10-14(18)4-3-5-15(10)19-16(20)11(2)21-13-8-6-12(17)7-9-13/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyCADCLIQPJDWTCB-UHFFFAOYSA-N
MW396.23 g/mol
LogP3.59
Rot. Bonds4

About N-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide

N-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide (PubChem CID 43327286) has the molecular formula C16H17IN2O2 and a molecular weight of 396.23 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide
PubChem CID43327286
Molecular FormulaC16H17IN2O2
Molecular Weight396.23 g/mol
Exact Mass396.03
IUPAC NameN-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide
SMILESCc1c(N)cccc1NC(=O)C(C)Oc1ccc(I)cc1
InChIInChI=1S/C16H17IN2O2/c1-10-14(18)4-3-5-15(10)19-16(20)11(2)21-13-8-6-12(17)7-9-13/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKeyCADCLIQPJDWTCB-UHFFFAOYSA-N
XLogP3.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide
CID 1008812
N-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
CID 16784463
2-(4-iodophenoxy)-N-(2-methyl-3-nitrophenyl)propanamide
CID 17358897
N-(2-amino-5-chlorophenyl)-2-(4-iodophenoxy)propanamide
CID 43327290
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567
(2S)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733033
(2R)-N-(2,3-dimethylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7733032
3-[2-(4-methoxyphenoxy)propanoylamino]-2-methylbenzamide
CID 53281948
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
3-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]-2-methylbenzamide
CID 34584016
3-[2-(4-chlorophenoxy)propanoylamino]-2-methylbenzamide
CID 53282389
2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760564

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide (CID 43327286) is N-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide is Cc1c(N)cccc1NC(=O)C(C)Oc1ccc(I)cc1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide?
The InChIKey is CADCLIQPJDWTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O2/c1-10-14(18)4-3-5-15(10)19-16(20)11(2)21-13-8-6-12(17)7-9-13/h3-9,11H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide?
N-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide has a molecular weight of 396.23 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-(4-iodophenoxy)propanamide is sourced from PubChem (CID 43327286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).