3-chloro-N-[2-(dimethylamino)ethyl]-5-iodobenzamide

C11H14ClIN2O — CID 172648743

IUPAC3-chloro-N-[2-(dimethylamino)ethyl]-5-iodobenzamide
SMILESCN(C)CCNC(=O)c1cc(Cl)cc(I)c1
InChIInChI=1S/C11H14ClIN2O/c1-15(2)4-3-14-11(16)8-5-9(12)7-10(13)6-8/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKeyXNZPOFNXZGKNKA-UHFFFAOYSA-N
MW352.60 g/mol
LogP2.24
Rot. Bonds4

About 3-chloro-N-[2-(dimethylamino)ethyl]-5-iodobenzamide

3-chloro-N-[2-(dimethylamino)ethyl]-5-iodobenzamide (PubChem CID 172648743) has the molecular formula C11H14ClIN2O and a molecular weight of 352.60 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)ethyl]-5-iodobenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)ethyl]-5-iodobenzamide
PubChem CID172648743
Molecular FormulaC11H14ClIN2O
Molecular Weight352.60 g/mol
Exact Mass351.98
IUPAC Name3-chloro-N-[2-(dimethylamino)ethyl]-5-iodobenzamide
SMILESCN(C)CCNC(=O)c1cc(Cl)cc(I)c1
InChIInChI=1S/C11H14ClIN2O/c1-15(2)4-3-14-11(16)8-5-9(12)7-10(13)6-8/h5-7H,3-4H2,1-2H3,(H,14,16)
InChIKeyXNZPOFNXZGKNKA-UHFFFAOYSA-N
XLogP2.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.60
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-propylbenzamide
CID 2767298
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159
5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229253
4-bromo-N-[2-(dimethylamino)ethyl]-3,5-difluorobenzamide
CID 172646665
N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide
CID 167310023
N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide
CID 756601
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
3-chloro-N-cyclobutyl-5-iodobenzamide
CID 139600426
4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide
CID 82833147
3-chloro-N-[2-(dimethylamino)ethyl]-4-(methylamino)-5-nitrobenzamide
CID 62171325
6-N-(3,5-dichlorophenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096412
3,5-dichloro-N-(2-methylsulfonylethyl)benzamide
CID 47230479

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-5-iodobenzamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)ethyl]-5-iodobenzamide (CID 172648743) is 3-chloro-N-[2-(dimethylamino)ethyl]-5-iodobenzamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)ethyl]-5-iodobenzamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)ethyl]-5-iodobenzamide is CN(C)CCNC(=O)c1cc(Cl)cc(I)c1.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)ethyl]-5-iodobenzamide?
The InChIKey is XNZPOFNXZGKNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIN2O/c1-15(2)4-3-14-11(16)8-5-9(12)7-10(13)6-8/h5-7H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 3-chloro-N-[2-(dimethylamino)ethyl]-5-iodobenzamide?
3-chloro-N-[2-(dimethylamino)ethyl]-5-iodobenzamide has a molecular weight of 352.60 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)ethyl]-5-iodobenzamide is sourced from PubChem (CID 172648743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).