N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide

C16H13ClF3IN2O — CID 55430490

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide
SMILESCC(Nc1cccc(I)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H13ClF3IN2O/c1-9(22-12-4-2-3-11(21)8-12)15(24)23-14-6-5-10(17)7-13(14)16(18,19)20/h2-9,22H,1H3,(H,23,24)
InChIKeyKFMJWTBZAVJZCQ-UHFFFAOYSA-N
MW468.64 g/mol
LogP5.40
Rot. Bonds4

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide (PubChem CID 55430490) has the molecular formula C16H13ClF3IN2O and a molecular weight of 468.64 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide
PubChem CID55430490
Molecular FormulaC16H13ClF3IN2O
Molecular Weight468.64 g/mol
Exact Mass467.97
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide
SMILESCC(Nc1cccc(I)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H13ClF3IN2O/c1-9(22-12-4-2-3-11(21)8-12)15(24)23-14-6-5-10(17)7-13(14)16(18,19)20/h2-9,22H,1H3,(H,23,24)
InChIKeyKFMJWTBZAVJZCQ-UHFFFAOYSA-N
XLogP5.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)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-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyanilino)propanamide
CID 46667030
2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242458
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 2296321
(2S)-2-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 22690588
N-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide
CID 78818879
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473
(2S)-2-anilino-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 2464532
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79195644
N-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide
CID 134041322
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,6-dimethoxybenzamide
CID 18892483
2-[4-chloro-2-(trifluoromethyl)anilino]-N-prop-2-enylpropanamide
CID 43088798
3-[[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51243989

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide (CID 55430490) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide is CC(Nc1cccc(I)c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide?
The InChIKey is KFMJWTBZAVJZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3IN2O/c1-9(22-12-4-2-3-11(21)8-12)15(24)23-14-6-5-10(17)7-13(14)16(18,19)20/h2-9,22H,1H3,(H,23,24).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide has a molecular weight of 468.64 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide is sourced from PubChem (CID 55430490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).