(2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide

C16H14BrIN2O2 — CID 28839263

IUPAC(2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C\c1cccc(I)c1
InChIInChI=1S/C16H14BrIN2O2/c1-11(22-15-7-5-13(17)6-8-15)16(21)20-19-10-12-3-2-4-14(18)9-12/h2-11H,1H3,(H,20,21)/b19-10-/t11-/m0/s1
InChIKeyOLHANECDRHTFTR-ORPVNXHJSA-N
MW473.11 g/mol
LogP3.97
Rot. Bonds5

About (2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide

(2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide (PubChem CID 28839263) has the molecular formula C16H14BrIN2O2 and a molecular weight of 473.11 g/mol. Its IUPAC name is (2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide
PubChem CID28839263
Molecular FormulaC16H14BrIN2O2
Molecular Weight473.11 g/mol
Exact Mass471.93
IUPAC Name(2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide
SMILESC[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C\c1cccc(I)c1
InChIInChI=1S/C16H14BrIN2O2/c1-11(22-15-7-5-13(17)6-8-15)16(21)20-19-10-12-3-2-4-14(18)9-12/h2-11H,1H3,(H,20,21)/b19-10-/t11-/m0/s1
InChIKeyOLHANECDRHTFTR-ORPVNXHJSA-N
XLogP3.97
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.11
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide 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

(2S)-2-(4-bromophenoxy)-N-[(3-bromophenyl)methylideneamino]propanamide
CID 1039690
2-(4-bromophenoxy)-N-[(Z)-(4-methylphenyl)methylideneamino]propanamide
CID 6167380
(2R)-2-(4-bromophenoxy)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136766953
2-(4-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135659445
N-[(3-bromophenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4061688
2-(4-bromophenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]propanamide
CID 135615985
N-[(E)-(4-bromophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)propanamide
CID 17169215
(2R)-N-[(4-bromophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)propanamide
CID 1014694
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(4-bromophenoxy)propanamide
CID 3678892
2-(4-bromophenoxy)-N-[[4-(dimethylamino)phenyl]methylideneamino]propanamide
CID 2853248
2-(4-bromophenoxy)-N-(ethylideneamino)propanamide
CID 4633825
2-(4-bromophenoxy)-N-[(2,3-dichlorophenyl)methylideneamino]propanamide
CID 4671273

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide?
The IUPAC name of (2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide (CID 28839263) is (2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide?
The canonical SMILES for (2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide is C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C\c1cccc(I)c1.
What is the InChIKey of (2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide?
The InChIKey is OLHANECDRHTFTR-ORPVNXHJSA-N. The full InChI is InChI=1S/C16H14BrIN2O2/c1-11(22-15-7-5-13(17)6-8-15)16(21)20-19-10-12-3-2-4-14(18)9-12/h2-11H,1H3,(H,20,21)/b19-10-/t11-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide?
(2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide has a molecular weight of 473.11 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenoxy)-N-[(Z)-(3-iodophenyl)methylideneamino]propanamide is sourced from PubChem (CID 28839263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).