3-chloro-4-iodo-N-methyl-N-propylbenzamide

C11H13ClINO — CID 103736028

IUPAC3-chloro-4-iodo-N-methyl-N-propylbenzamide
SMILESCCCN(C)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C11H13ClINO/c1-3-6-14(2)11(15)8-4-5-10(13)9(12)7-8/h4-5,7H,3,6H2,1-2H3
InChIKeyLWIIGQWSRZUBCD-UHFFFAOYSA-N
MW337.59 g/mol
LogP3.43
Rot. Bonds3

About 3-chloro-4-iodo-N-methyl-N-propylbenzamide

3-chloro-4-iodo-N-methyl-N-propylbenzamide (PubChem CID 103736028) has the molecular formula C11H13ClINO and a molecular weight of 337.59 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-methyl-N-propylbenzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-methyl-N-propylbenzamide
PubChem CID103736028
Molecular FormulaC11H13ClINO
Molecular Weight337.59 g/mol
Exact Mass336.97
IUPAC Name3-chloro-4-iodo-N-methyl-N-propylbenzamide
SMILESCCCN(C)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C11H13ClINO/c1-3-6-14(2)11(15)8-4-5-10(13)9(12)7-8/h4-5,7H,3,6H2,1-2H3
InChIKeyLWIIGQWSRZUBCD-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.59
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747389
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
CID 43271538
4-[(3-chloro-4-iodobenzoyl)-methylamino]butanoic acid
CID 103803012
3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide
CID 103222178
3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 103735187
ethyl 2-[(3-chloro-4-iodobenzoyl)-propylamino]acetate
CID 103736240
3-chloro-N-(1H-imidazol-2-ylmethyl)-4-iodo-N-methylbenzamide
CID 103736159
N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide
CID 103735007
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220863
3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide
CID 103221365
N-[(3-bromophenyl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220856
3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 103209645

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-methyl-N-propylbenzamide?
The IUPAC name of 3-chloro-4-iodo-N-methyl-N-propylbenzamide (CID 103736028) is 3-chloro-4-iodo-N-methyl-N-propylbenzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-methyl-N-propylbenzamide?
The canonical SMILES for 3-chloro-4-iodo-N-methyl-N-propylbenzamide is CCCN(C)C(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-methyl-N-propylbenzamide?
The InChIKey is LWIIGQWSRZUBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClINO/c1-3-6-14(2)11(15)8-4-5-10(13)9(12)7-8/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 3-chloro-4-iodo-N-methyl-N-propylbenzamide?
3-chloro-4-iodo-N-methyl-N-propylbenzamide has a molecular weight of 337.59 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-methyl-N-propylbenzamide is sourced from PubChem (CID 103736028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).