N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline

C13H9ClF2IN — CID 79769585

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
SMILESFc1ccc(CNc2ccc(F)cc2I)c(Cl)c1
InChIInChI=1S/C13H9ClF2IN/c14-11-5-9(15)2-1-8(11)7-18-13-4-3-10(16)6-12(13)17/h1-6,18H,7H2
InChIKeyGYTAFMXISQDDOA-UHFFFAOYSA-N
MW379.58 g/mol
LogP4.83
Rot. Bonds3

About N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline

N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline (PubChem CID 79769585) has the molecular formula C13H9ClF2IN and a molecular weight of 379.58 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
PubChem CID79769585
Molecular FormulaC13H9ClF2IN
Molecular Weight379.58 g/mol
Exact Mass378.94
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
SMILESFc1ccc(CNc2ccc(F)cc2I)c(Cl)c1
InChIInChI=1S/C13H9ClF2IN/c14-11-5-9(15)2-1-8(11)7-18-13-4-3-10(16)6-12(13)17/h1-6,18H,7H2
InChIKeyGYTAFMXISQDDOA-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.58
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline
CID 79768402
N-[(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoroaniline
CID 113470951
2-bromo-4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 81270505
2,4-dibromo-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 63492584
2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline
CID 28878906
N-[(2-bromophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769241
N-[(2,5-dimethylphenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768890
3-fluoro-4-[(4-fluoro-2-iodoanilino)methyl]benzonitrile
CID 79769186
3,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoroaniline
CID 107573826
4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 30051350
4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline
CID 79769495
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 29034748

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline (CID 79769585) is N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline is Fc1ccc(CNc2ccc(F)cc2I)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline?
The InChIKey is GYTAFMXISQDDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2IN/c14-11-5-9(15)2-1-8(11)7-18-13-4-3-10(16)6-12(13)17/h1-6,18H,7H2.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline?
N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline has a molecular weight of 379.58 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline is sourced from PubChem (CID 79769585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).