2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline

C15H13ClF2INO — CID 43733794

IUPAC2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline
SMILESCC(Nc1ccc(I)cc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C15H13ClF2INO/c1-9(20-13-7-6-10(19)8-12(13)16)11-4-2-3-5-14(11)21-15(17)18/h2-9,15,20H,1H3
InChIKeyJYAJZZGYVPHREA-UHFFFAOYSA-N
MW423.63 g/mol
LogP5.72
Rot. Bonds5

About 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline

2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline (PubChem CID 43733794) has the molecular formula C15H13ClF2INO and a molecular weight of 423.63 g/mol. Its IUPAC name is 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline.

Molecular Properties

Compound Name2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline
PubChem CID43733794
Molecular FormulaC15H13ClF2INO
Molecular Weight423.63 g/mol
Exact Mass422.97
IUPAC Name2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline
SMILESCC(Nc1ccc(I)cc1Cl)c1ccccc1OC(F)F
InChIInChI=1S/C15H13ClF2INO/c1-9(20-13-7-6-10(19)8-12(13)16)11-4-2-3-5-14(11)21-15(17)18/h2-9,15,20H,1H3
InChIKeyJYAJZZGYVPHREA-UHFFFAOYSA-N
XLogP5.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.63
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-fluoroaniline
CID 43150484
2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 43096601
5-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylaniline
CID 43109609
2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 65468369
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
CID 43192576
2,4-dichloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43103375
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3-iodo-4-methylaniline
CID 43716319
2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43194707
2-chloro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-4-iodoaniline
CID 43788791
4-bromo-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 43194545
2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline
CID 43733742

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline?
The IUPAC name of 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline (CID 43733794) is 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline.
What is the SMILES notation for 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline?
The canonical SMILES for 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline is CC(Nc1ccc(I)cc1Cl)c1ccccc1OC(F)F.
What is the InChIKey of 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline?
The InChIKey is JYAJZZGYVPHREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2INO/c1-9(20-13-7-6-10(19)8-12(13)16)11-4-2-3-5-14(11)21-15(17)18/h2-9,15,20H,1H3.
What are the key properties of 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline?
2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline has a molecular weight of 423.63 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-iodoaniline is sourced from PubChem (CID 43733794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).