N-(3-aminophenyl)-2-(2-iodophenoxy)propanamide

C15H15IN2O2 — CID 43479667

IUPACN-(3-aminophenyl)-2-(2-iodophenoxy)propanamide
SMILESCC(Oc1ccccc1I)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C15H15IN2O2/c1-10(20-14-8-3-2-7-13(14)16)15(19)18-12-6-4-5-11(17)9-12/h2-10H,17H2,1H3,(H,18,19)
InChIKeyAOCAYBOXAKRTHZ-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.28
Rot. Bonds4

About N-(3-aminophenyl)-2-(2-iodophenoxy)propanamide

N-(3-aminophenyl)-2-(2-iodophenoxy)propanamide (PubChem CID 43479667) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(2-iodophenoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(2-iodophenoxy)propanamide
PubChem CID43479667
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC NameN-(3-aminophenyl)-2-(2-iodophenoxy)propanamide
SMILESCC(Oc1ccccc1I)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C15H15IN2O2/c1-10(20-14-8-3-2-7-13(14)16)15(19)18-12-6-4-5-11(17)9-12/h2-10H,17H2,1H3,(H,18,19)
InChIKeyAOCAYBOXAKRTHZ-UHFFFAOYSA-N
XLogP3.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.28
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

N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 43079181
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898
N-(3-aminophenyl)-2-ethoxypropanamide
CID 16782214
N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide
CID 46735775
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
(2R)-2-(2-ethylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 94027173
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
N-(3-bromophenyl)-2-(2-methoxyphenoxy)propanamide
CID 17252166
2-(2-bromophenoxy)-N-(3-hydroxyphenyl)propanamide
CID 6472883
(2R)-2-(2-bromophenoxy)-N-(3-hydroxyphenyl)propanamide
CID 40639361
(2R)-2-(2-ethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 92671770

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(2-iodophenoxy)propanamide?
The IUPAC name of N-(3-aminophenyl)-2-(2-iodophenoxy)propanamide (CID 43479667) is N-(3-aminophenyl)-2-(2-iodophenoxy)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(2-iodophenoxy)propanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(2-iodophenoxy)propanamide is CC(Oc1ccccc1I)C(=O)Nc1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-2-(2-iodophenoxy)propanamide?
The InChIKey is AOCAYBOXAKRTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O2/c1-10(20-14-8-3-2-7-13(14)16)15(19)18-12-6-4-5-11(17)9-12/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of N-(3-aminophenyl)-2-(2-iodophenoxy)propanamide?
N-(3-aminophenyl)-2-(2-iodophenoxy)propanamide has a molecular weight of 382.20 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(2-iodophenoxy)propanamide is sourced from PubChem (CID 43479667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).