3-chloro-N-(3-iodopropyl)-2-methylbenzamide

C11H13ClINO — CID 107100281

IUPAC3-chloro-N-(3-iodopropyl)-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NCCCI
InChIInChI=1S/C11H13ClINO/c1-8-9(4-2-5-10(8)12)11(15)14-7-3-6-13/h2,4-5H,3,6-7H2,1H3,(H,14,15)
InChIKeyNCPSUACEZQCFKI-UHFFFAOYSA-N
MW337.59 g/mol
LogP3.20
Rot. Bonds4

About 3-chloro-N-(3-iodopropyl)-2-methylbenzamide

3-chloro-N-(3-iodopropyl)-2-methylbenzamide (PubChem CID 107100281) has the molecular formula C11H13ClINO and a molecular weight of 337.59 g/mol. Its IUPAC name is 3-chloro-N-(3-iodopropyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(3-iodopropyl)-2-methylbenzamide
PubChem CID107100281
Molecular FormulaC11H13ClINO
Molecular Weight337.59 g/mol
Exact Mass336.97
IUPAC Name3-chloro-N-(3-iodopropyl)-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NCCCI
InChIInChI=1S/C11H13ClINO/c1-8-9(4-2-5-10(8)12)11(15)14-7-3-6-13/h2,4-5H,3,6-7H2,1H3,(H,14,15)
InChIKeyNCPSUACEZQCFKI-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

3-chloro-N-(4-iodobutyl)-2-methylbenzamide
CID 107100317
2,3-dichloro-N-(3-iodopropyl)benzamide
CID 114504005
3-chloro-2-fluoro-N-(4-iodobutyl)benzamide
CID 106846240
2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide
CID 114504231
2,3-difluoro-N-(3-iodopropyl)benzamide
CID 114504531
1-N,2-N-bis(4-iodobutyl)benzene-1,2-dicarboxamide
CID 139952452
3-chloro-N-(3-hydroxy-4-methoxybutyl)-2-methylbenzamide
CID 107168176
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514
N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
CID 110484084
N-[[4-(bromomethyl)phenyl]methyl]-3-chloro-2-methylbenzamide
CID 107233695
N-[(4-bromophenyl)methyl]-3-chloro-2-methylbenzamide
CID 107096897
methyl 5-[(3-chloro-2-methylbenzoyl)amino]-3,3-difluoropentanoate
CID 167852070

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-iodopropyl)-2-methylbenzamide?
The IUPAC name of 3-chloro-N-(3-iodopropyl)-2-methylbenzamide (CID 107100281) is 3-chloro-N-(3-iodopropyl)-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-(3-iodopropyl)-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-(3-iodopropyl)-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)NCCCI.
What is the InChIKey of 3-chloro-N-(3-iodopropyl)-2-methylbenzamide?
The InChIKey is NCPSUACEZQCFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClINO/c1-8-9(4-2-5-10(8)12)11(15)14-7-3-6-13/h2,4-5H,3,6-7H2,1H3,(H,14,15).
What are the key properties of 3-chloro-N-(3-iodopropyl)-2-methylbenzamide?
3-chloro-N-(3-iodopropyl)-2-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 3-chloro-N-(3-iodopropyl)-2-methylbenzamide is sourced from PubChem (CID 107100281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).