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

C15H20ClIN2O — CID 103209649

IUPAC3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide
SMILESCCN(CC1CCNCC1)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H20ClIN2O/c1-2-19(10-11-5-7-18-8-6-11)15(20)12-3-4-14(17)13(16)9-12/h3-4,9,11,18H,2,5-8,10H2,1H3
InChIKeyHBCNWQMDCXDICT-UHFFFAOYSA-N
MW406.70 g/mol
LogP3.41
Rot. Bonds4

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

3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 103209649) has the molecular formula C15H20ClIN2O and a molecular weight of 406.70 g/mol. Its IUPAC name is 3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide
PubChem CID103209649
Molecular FormulaC15H20ClIN2O
Molecular Weight406.70 g/mol
Exact Mass406.03
IUPAC Name3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide
SMILESCCN(CC1CCNCC1)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H20ClIN2O/c1-2-19(10-11-5-7-18-8-6-11)15(20)12-3-4-14(17)13(16)9-12/h3-4,9,11,18H,2,5-8,10H2,1H3
InChIKeyHBCNWQMDCXDICT-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.70
LogP ≤ 53.41
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-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 103209645
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 79700663
4-ethoxy-N-ethyl-N-(piperidin-4-ylmethyl)benzamide
CID 79698338
N-ethyl-5-iodo-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 79720840
3-N-ethyl-3-N-(piperidin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 79697262
3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608291
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)benzamide
CID 79721421
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 79698342
3-amino-4-chloro-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63955717
5-chloro-N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82883488
3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629287
4-iodo-N-(piperidin-4-ylmethyl)-N-propylbenzamide
CID 79721151

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide (CID 103209649) is 3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide is CCN(CC1CCNCC1)C(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is HBCNWQMDCXDICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClIN2O/c1-2-19(10-11-5-7-18-8-6-11)15(20)12-3-4-14(17)13(16)9-12/h3-4,9,11,18H,2,5-8,10H2,1H3.
What are the key properties of 3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide?
3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 406.70 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-4-iodo-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 103209649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).