4-chloro-N-(3-iodopropyl)-3-methylbenzamide

C11H13ClINO — CID 114504083

IUPAC4-chloro-N-(3-iodopropyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NCCCI)ccc1Cl
InChIInChI=1S/C11H13ClINO/c1-8-7-9(3-4-10(8)12)11(15)14-6-2-5-13/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeySRNKQDJZBZOSDM-UHFFFAOYSA-N
MW337.59 g/mol
LogP3.20
Rot. Bonds4

About 4-chloro-N-(3-iodopropyl)-3-methylbenzamide

4-chloro-N-(3-iodopropyl)-3-methylbenzamide (PubChem CID 114504083) has the molecular formula C11H13ClINO and a molecular weight of 337.59 g/mol. Its IUPAC name is 4-chloro-N-(3-iodopropyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(3-iodopropyl)-3-methylbenzamide
PubChem CID114504083
Molecular FormulaC11H13ClINO
Molecular Weight337.59 g/mol
Exact Mass336.97
IUPAC Name4-chloro-N-(3-iodopropyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NCCCI)ccc1Cl
InChIInChI=1S/C11H13ClINO/c1-8-7-9(3-4-10(8)12)11(15)14-6-2-5-13/h3-4,7H,2,5-6H2,1H3,(H,14,15)
InChIKeySRNKQDJZBZOSDM-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.59
LogP ≤ 53.20
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

4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 103919086
N-(5-iodopentyl)-3,4-dimethylbenzamide
CID 107322453
3-chloro-4-iodo-N-(3-iodopropyl)benzamide
CID 103212807
N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride
CID 119385642
4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
3-bromo-4-chloro-N-(5-iodopentyl)benzamide
CID 107994465
4-chloro-3-fluoro-N-(6-iodohexyl)benzamide
CID 107994492
3-chloro-4-hydroxy-N-(4-iodobutyl)benzamide
CID 106846289
4-chloro-N-[2-(2-hydroxypropylamino)ethyl]-3-methylbenzamide
CID 104593499
3-chloro-N-(5-chloropentyl)-4-methylbenzamide
CID 107321227
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
4-iodo-N-(3-iodopropyl)benzamide
CID 114504016

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-iodopropyl)-3-methylbenzamide?
The IUPAC name of 4-chloro-N-(3-iodopropyl)-3-methylbenzamide (CID 114504083) is 4-chloro-N-(3-iodopropyl)-3-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(3-iodopropyl)-3-methylbenzamide?
The canonical SMILES for 4-chloro-N-(3-iodopropyl)-3-methylbenzamide is Cc1cc(C(=O)NCCCI)ccc1Cl.
What is the InChIKey of 4-chloro-N-(3-iodopropyl)-3-methylbenzamide?
The InChIKey is SRNKQDJZBZOSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClINO/c1-8-7-9(3-4-10(8)12)11(15)14-6-2-5-13/h3-4,7H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 4-chloro-N-(3-iodopropyl)-3-methylbenzamide?
4-chloro-N-(3-iodopropyl)-3-methylbenzamide has a molecular weight of 337.59 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-iodopropyl)-3-methylbenzamide is sourced from PubChem (CID 114504083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).