2,3-dichloro-N-(3-iodopropyl)benzamide

C10H10Cl2INO — CID 114504005

IUPAC2,3-dichloro-N-(3-iodopropyl)benzamide
SMILESO=C(NCCCI)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2INO/c11-8-4-1-3-7(9(8)12)10(15)14-6-2-5-13/h1,3-4H,2,5-6H2,(H,14,15)
InChIKeyGSWZWHSDVIZHOY-UHFFFAOYSA-N
MW358.01 g/mol
LogP3.55
Rot. Bonds4

About 2,3-dichloro-N-(3-iodopropyl)benzamide

2,3-dichloro-N-(3-iodopropyl)benzamide (PubChem CID 114504005) has the molecular formula C10H10Cl2INO and a molecular weight of 358.01 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-iodopropyl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(3-iodopropyl)benzamide
PubChem CID114504005
Molecular FormulaC10H10Cl2INO
Molecular Weight358.01 g/mol
Exact Mass356.92
IUPAC Name2,3-dichloro-N-(3-iodopropyl)benzamide
SMILESO=C(NCCCI)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H10Cl2INO/c11-8-4-1-3-7(9(8)12)10(15)14-6-2-5-13/h1,3-4H,2,5-6H2,(H,14,15)
InChIKeyGSWZWHSDVIZHOY-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.01
LogP ≤ 53.55
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-(3-iodopropyl)-2-methylbenzamide
CID 107100281
3-chloro-2-fluoro-N-(4-iodobutyl)benzamide
CID 106846240
N-(5-bromopentyl)-2,3-dichlorobenzamide
CID 107321695
3-chloro-N-(4-iodobutyl)-2-methylbenzamide
CID 107100317
2,3-dichloro-N-(4-chloropentyl)benzamide
CID 106129757
2,3-difluoro-N-(3-iodopropyl)benzamide
CID 114504531
1-N,2-N-bis(4-iodobutyl)benzene-1,2-dicarboxamide
CID 139952452
2,3-dichloro-N-ethylbenzamide;methane
CID 158305709
2-hydroxy-N-(3-iodopropyl)-3-methylbenzamide
CID 114504231
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(3-iodopropyl)benzamide?
The IUPAC name of 2,3-dichloro-N-(3-iodopropyl)benzamide (CID 114504005) is 2,3-dichloro-N-(3-iodopropyl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(3-iodopropyl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(3-iodopropyl)benzamide is O=C(NCCCI)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(3-iodopropyl)benzamide?
The InChIKey is GSWZWHSDVIZHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2INO/c11-8-4-1-3-7(9(8)12)10(15)14-6-2-5-13/h1,3-4H,2,5-6H2,(H,14,15).
What are the key properties of 2,3-dichloro-N-(3-iodopropyl)benzamide?
2,3-dichloro-N-(3-iodopropyl)benzamide has a molecular weight of 358.01 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(3-iodopropyl)benzamide is sourced from PubChem (CID 114504005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).