3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide

C13H19FIN3O — CID 66102068

IUPAC3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNc1cc(F)c(I)cc1N
InChIInChI=1S/C13H19FIN3O/c1-3-8(2)18-13(19)4-5-17-12-6-9(14)10(15)7-11(12)16/h6-8,17H,3-5,16H2,1-2H3,(H,18,19)
InChIKeyHZCLSPONXOXYNC-UHFFFAOYSA-N
MW379.22 g/mol
LogP2.73
Rot. Bonds6

About 3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide

3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide (PubChem CID 66102068) has the molecular formula C13H19FIN3O and a molecular weight of 379.22 g/mol. Its IUPAC name is 3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide
PubChem CID66102068
Molecular FormulaC13H19FIN3O
Molecular Weight379.22 g/mol
Exact Mass379.06
IUPAC Name3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNc1cc(F)c(I)cc1N
InChIInChI=1S/C13H19FIN3O/c1-3-8(2)18-13(19)4-5-17-12-6-9(14)10(15)7-11(12)16/h6-8,17H,3-5,16H2,1-2H3,(H,18,19)
InChIKeyHZCLSPONXOXYNC-UHFFFAOYSA-N
XLogP2.73
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.22
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide 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

3-(2-amino-4-nitroanilino)-N-butan-2-ylpropanamide
CID 62508465
2-(2-amino-5-fluoro-4-iodoanilino)ethylurea
CID 83115916
N-butan-2-yl-3-(4-cyano-2-fluoroanilino)propanamide
CID 61021223
2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101653
2-amino-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]benzoic acid
CID 115545678
N-butan-2-yl-3-(2-carbamothioyl-5-chloroanilino)propanamide
CID 63092321
N-propan-2-yl-3-(2,4,5-trifluoroanilino)propanamide
CID 62814354
2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101509
4-fluoro-5-iodo-2-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,2-diamine
CID 106036670
N-butan-2-yl-3-(2-propan-2-ylanilino)propanamide
CID 109012982
N-butan-2-yl-3-(4-cyano-3-fluoroanilino)propanamide
CID 115367391
N-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide
CID 107933660

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide?
The IUPAC name of 3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide (CID 66102068) is 3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide?
The canonical SMILES for 3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCNc1cc(F)c(I)cc1N.
What is the InChIKey of 3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide?
The InChIKey is HZCLSPONXOXYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FIN3O/c1-3-8(2)18-13(19)4-5-17-12-6-9(14)10(15)7-11(12)16/h6-8,17H,3-5,16H2,1-2H3,(H,18,19).
What are the key properties of 3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide?
3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide has a molecular weight of 379.22 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide is sourced from PubChem (CID 66102068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).