3-chloro-4-iodo-N-(3-iodopropyl)benzamide

C10H10ClI2NO — CID 103212807

IUPAC3-chloro-4-iodo-N-(3-iodopropyl)benzamide
SMILESO=C(NCCCI)c1ccc(I)c(Cl)c1
InChIInChI=1S/C10H10ClI2NO/c11-8-6-7(2-3-9(8)13)10(15)14-5-1-4-12/h2-3,6H,1,4-5H2,(H,14,15)
InChIKeyCWPBMPMSOWOVJQ-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.50
Rot. Bonds4

About 3-chloro-4-iodo-N-(3-iodopropyl)benzamide

3-chloro-4-iodo-N-(3-iodopropyl)benzamide (PubChem CID 103212807) has the molecular formula C10H10ClI2NO and a molecular weight of 449.46 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-(3-iodopropyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-(3-iodopropyl)benzamide
PubChem CID103212807
Molecular FormulaC10H10ClI2NO
Molecular Weight449.46 g/mol
Exact Mass448.85
IUPAC Name3-chloro-4-iodo-N-(3-iodopropyl)benzamide
SMILESO=C(NCCCI)c1ccc(I)c(Cl)c1
InChIInChI=1S/C10H10ClI2NO/c11-8-6-7(2-3-9(8)13)10(15)14-5-1-4-12/h2-3,6H,1,4-5H2,(H,14,15)
InChIKeyCWPBMPMSOWOVJQ-UHFFFAOYSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide
CID 106842281
3-chloro-N-decyl-4-iodobenzamide
CID 103222152
3-chloro-4-iodo-N-pent-4-ynylbenzamide
CID 103737066
4-chloro-N-(3-iodopropyl)-3-methylbenzamide
CID 114504083
3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide
CID 106846289
ethyl 4-[(3-chloro-4-iodobenzoyl)amino]butanoate
CID 103734908
3-chloro-N-(3-hydroxybutyl)-4-iodobenzamide
CID 103736317
3-chloro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-4-iodobenzamide
CID 103800850
3-chloro-4-iodo-N-(2-pyrrol-1-ylethyl)benzamide
CID 103737073
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide
CID 103738158
4-iodo-N-(3-iodopropyl)benzamide
CID 114504016
3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103734735

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-(3-iodopropyl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-(3-iodopropyl)benzamide (CID 103212807) is 3-chloro-4-iodo-N-(3-iodopropyl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-(3-iodopropyl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-(3-iodopropyl)benzamide is O=C(NCCCI)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-(3-iodopropyl)benzamide?
The InChIKey is CWPBMPMSOWOVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClI2NO/c11-8-6-7(2-3-9(8)13)10(15)14-5-1-4-12/h2-3,6H,1,4-5H2,(H,14,15).
What are the key properties of 3-chloro-4-iodo-N-(3-iodopropyl)benzamide?
3-chloro-4-iodo-N-(3-iodopropyl)benzamide has a molecular weight of 449.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-(3-iodopropyl)benzamide is sourced from PubChem (CID 103212807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).