N-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline

C9H7Cl2FIN — CID 79769670

IUPACN-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline
SMILESFc1ccc(NCC(Cl)=CCl)c(I)c1
InChIInChI=1S/C9H7Cl2FIN/c10-4-6(11)5-14-9-2-1-7(12)3-8(9)13/h1-4,14H,5H2
InChIKeyBDIFAXLJEXUGHF-UHFFFAOYSA-N
MW345.97 g/mol
LogP4.16
Rot. Bonds3

About N-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline

N-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline (PubChem CID 79769670) has the molecular formula C9H7Cl2FIN and a molecular weight of 345.97 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline
PubChem CID79769670
Molecular FormulaC9H7Cl2FIN
Molecular Weight345.97 g/mol
Exact Mass344.90
IUPAC NameN-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline
SMILESFc1ccc(NCC(Cl)=CCl)c(I)c1
InChIInChI=1S/C9H7Cl2FIN/c10-4-6(11)5-14-9-2-1-7(12)3-8(9)13/h1-4,14H,5H2
InChIKeyBDIFAXLJEXUGHF-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.97
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline 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

2-[[(Z)-2,3-dichloroprop-2-enyl]amino]-5-fluorobenzonitrile
CID 82015391
2-(4-fluoro-2-iodoanilino)acetic acid
CID 79769086
4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline
CID 79769495
N,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide
CID 79769175
4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline
CID 79769171
2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79768847
2-(4-fluoro-2-iodoanilino)-N-(2-methylpropyl)acetamide
CID 79769575
N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769585
4-bromo-N-[(Z)-2,3-dichloroprop-2-enyl]-2,5-difluoroaniline
CID 107610901
4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline
CID 79768402
4-[(4-fluoro-2-iodoanilino)methyl]benzoic acid
CID 79769454
N-(2-bromophenyl)-2-(4-fluoro-2-iodoanilino)acetamide
CID 79768515

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline (CID 79769670) is N-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline is Fc1ccc(NCC(Cl)=CCl)c(I)c1.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline?
The InChIKey is BDIFAXLJEXUGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2FIN/c10-4-6(11)5-14-9-2-1-7(12)3-8(9)13/h1-4,14H,5H2.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline?
N-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline has a molecular weight of 345.97 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-4-fluoro-2-iodoaniline is sourced from PubChem (CID 79769670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).