N-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)propanamide

C17H15F3INO2 — CID 47085536

IUPACN-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1cc(C(F)(F)F)ccc1I
InChIInChI=1S/C17H15F3INO2/c1-24-15-5-3-2-4-11(15)6-9-16(23)22-14-10-12(17(18,19)20)7-8-13(14)21/h2-5,7-8,10H,6,9H2,1H3,(H,22,23)
InChIKeyRKQBEIKOYVAMAP-UHFFFAOYSA-N
MW449.21 g/mol
LogP4.89
Rot. Bonds5

About N-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)propanamide

N-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)propanamide (PubChem CID 47085536) has the molecular formula C17H15F3INO2 and a molecular weight of 449.21 g/mol. Its IUPAC name is N-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)propanamide
PubChem CID47085536
Molecular FormulaC17H15F3INO2
Molecular Weight449.21 g/mol
Exact Mass449.01
IUPAC NameN-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1cc(C(F)(F)F)ccc1I
InChIInChI=1S/C17H15F3INO2/c1-24-15-5-3-2-4-11(15)6-9-16(23)22-14-10-12(17(18,19)20)7-8-13(14)21/h2-5,7-8,10H,6,9H2,1H3,(H,22,23)
InChIKeyRKQBEIKOYVAMAP-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.21
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)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

N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
N-(2-chloro-4,5-dimethoxyphenyl)-3-(2-methoxyphenyl)propanamide
CID 17461303
3-(2-chlorophenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide
CID 29456589
3-(2-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 24725798
3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025439
N-(2,3-dichlorophenyl)-3-(2-methoxyphenyl)propanamide
CID 26694107
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
methyl 2-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 17360384
N-[3-[2-iodo-5-(trifluoromethyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 47085531
3-(2,5-dimethoxyphenyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 38079555
N-(2-benzylphenyl)-3-(2-methoxyphenyl)propanamide
CID 8023813
N-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 7998968

Frequently Asked Questions

What is the IUPAC name of N-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)propanamide (CID 47085536) is N-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)Nc1cc(C(F)(F)F)ccc1I.
What is the InChIKey of N-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is RKQBEIKOYVAMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3INO2/c1-24-15-5-3-2-4-11(15)6-9-16(23)22-14-10-12(17(18,19)20)7-8-13(14)21/h2-5,7-8,10H,6,9H2,1H3,(H,22,23).
What are the key properties of N-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)propanamide?
N-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 449.21 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-iodo-5-(trifluoromethyl)phenyl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 47085536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).