3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide

C15H11ClF2INO — CID 103222067

IUPAC3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide
SMILESO=C(NCCc1cc(F)cc(F)c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H11ClF2INO/c16-13-7-10(1-2-14(13)19)15(21)20-4-3-9-5-11(17)8-12(18)6-9/h1-2,5-8H,3-4H2,(H,20,21)
InChIKeyFBJQKYIUEZBOFX-UHFFFAOYSA-N
MW421.61 g/mol
LogP4.20
Rot. Bonds4

About 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide

3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide (PubChem CID 103222067) has the molecular formula C15H11ClF2INO and a molecular weight of 421.61 g/mol. Its IUPAC name is 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide
PubChem CID103222067
Molecular FormulaC15H11ClF2INO
Molecular Weight421.61 g/mol
Exact Mass420.95
IUPAC Name3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide
SMILESO=C(NCCc1cc(F)cc(F)c1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H11ClF2INO/c16-13-7-10(1-2-14(13)19)15(21)20-4-3-9-5-11(17)8-12(18)6-9/h1-2,5-8H,3-4H2,(H,20,21)
InChIKeyFBJQKYIUEZBOFX-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 54.20
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

3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide
CID 103738158
3-chloro-4-iodo-N-(3-iodopropyl)benzamide
CID 103212807
3-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-iodobenzamide
CID 106037004
3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide
CID 106842281
3-chloro-4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 103736148
3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103734735
3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
CID 103737133
3-chloro-N-(3-hydroxybutyl)-4-iodobenzamide
CID 103736317
3-chloro-N-decyl-4-iodobenzamide
CID 103222152
N-[2-(3,5-difluorophenyl)ethyl]-3-sulfanylbenzamide
CID 107028509
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide
CID 103222099
3-chloro-4-iodo-N-pent-4-ynylbenzamide
CID 103737066

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide?
The IUPAC name of 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide (CID 103222067) is 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide.
What is the SMILES notation for 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide?
The canonical SMILES for 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide is O=C(NCCc1cc(F)cc(F)c1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide?
The InChIKey is FBJQKYIUEZBOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2INO/c16-13-7-10(1-2-14(13)19)15(21)20-4-3-9-5-11(17)8-12(18)6-9/h1-2,5-8H,3-4H2,(H,20,21).
What are the key properties of 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide?
3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide has a molecular weight of 421.61 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-4-iodobenzamide is sourced from PubChem (CID 103222067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).