2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline

C14H11Cl2FIN — CID 83069214

IUPAC2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline
SMILESCC(Nc1ccc(I)cc1Cl)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11Cl2FIN/c1-8(9-2-4-11(15)13(17)6-9)19-14-5-3-10(18)7-12(14)16/h2-8,19H,1H3
InChIKeyCMGYDXYGHHHPKQ-UHFFFAOYSA-N
MW410.06 g/mol
LogP5.91
Rot. Bonds3

About 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline

2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline (PubChem CID 83069214) has the molecular formula C14H11Cl2FIN and a molecular weight of 410.06 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline.

Molecular Properties

Compound Name2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline
PubChem CID83069214
Molecular FormulaC14H11Cl2FIN
Molecular Weight410.06 g/mol
Exact Mass408.93
IUPAC Name2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline
SMILESCC(Nc1ccc(I)cc1Cl)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11Cl2FIN/c1-8(9-2-4-11(15)13(17)6-9)19-14-5-3-10(18)7-12(14)16/h2-8,19H,1H3
InChIKeyCMGYDXYGHHHPKQ-UHFFFAOYSA-N
XLogP5.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.06
LogP ≤ 55.91
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

N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodo-2-methylaniline
CID 83069132
2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
2-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-iodoaniline
CID 43733695
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 83069686
2-chloro-4-iodo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63445713
2-chloro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-iodoaniline
CID 43788791
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline
CID 83069311
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 83069531
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
CID 43758735
1-N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 83069930
2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine
CID 83069299

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline?
The IUPAC name of 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline (CID 83069214) is 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline.
What is the SMILES notation for 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline?
The canonical SMILES for 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline is CC(Nc1ccc(I)cc1Cl)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline?
The InChIKey is CMGYDXYGHHHPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FIN/c1-8(9-2-4-11(15)13(17)6-9)19-14-5-3-10(18)7-12(14)16/h2-8,19H,1H3.
What are the key properties of 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline?
2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline has a molecular weight of 410.06 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-iodoaniline is sourced from PubChem (CID 83069214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).