3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide

C14H18ClIN2O — CID 103209645

IUPAC3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCN(CC1CCNCC1)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H18ClIN2O/c1-18(9-10-4-6-17-7-5-10)14(19)11-2-3-13(16)12(15)8-11/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyDZTKYZGXXLLPAQ-UHFFFAOYSA-N
MW392.67 g/mol
LogP3.02
Rot. Bonds3

About 3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide

3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 103209645) has the molecular formula C14H18ClIN2O and a molecular weight of 392.67 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide
PubChem CID103209645
Molecular FormulaC14H18ClIN2O
Molecular Weight392.67 g/mol
Exact Mass392.02
IUPAC Name3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCN(CC1CCNCC1)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H18ClIN2O/c1-18(9-10-4-6-17-7-5-10)14(19)11-2-3-13(16)12(15)8-11/h2-3,8,10,17H,4-7,9H2,1H3
InChIKeyDZTKYZGXXLLPAQ-UHFFFAOYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.67
LogP ≤ 53.02
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-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide
CID 103209649
N-(cyclopropylmethyl)-3-hydroxy-4-iodo-N-methylbenzamide
CID 104627771
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 71642366
N-(azepan-4-yl)-3-chloro-4-iodo-N-methylbenzamide
CID 104974458
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide
CID 79721035
3-chloro-4-iodo-N-methyl-N-propylbenzamide
CID 103736028
4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627732
3-chloro-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702736
4-chloro-N-methyl-N-(piperidin-4-ylmethyl)-1H-pyrrole-2-carboxamide
CID 79721407
3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide
CID 103737051
3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608291

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide (CID 103209645) is 3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide is CN(CC1CCNCC1)C(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is DZTKYZGXXLLPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClIN2O/c1-18(9-10-4-6-17-7-5-10)14(19)11-2-3-13(16)12(15)8-11/h2-3,8,10,17H,4-7,9H2,1H3.
What are the key properties of 3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide?
3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 392.67 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 103209645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).