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

C14H18BrClN2O — CID 106627732

IUPAC4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCN(CC1CCCNC1)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H18BrClN2O/c1-18(9-10-3-2-6-17-8-10)14(19)11-4-5-12(15)13(16)7-11/h4-5,7,10,17H,2-3,6,8-9H2,1H3
InChIKeyAOPFNXNVRKIKJF-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.17
Rot. Bonds3

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

4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 106627732) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID106627732
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC Name4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCN(CC1CCCNC1)C(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C14H18BrClN2O/c1-18(9-10-3-2-6-17-8-10)14(19)11-4-5-12(15)13(16)7-11/h4-5,7,10,17H,2-3,6,8-9H2,1H3
InChIKeyAOPFNXNVRKIKJF-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628579
4-chloro-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107990969
3-chloro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627859
4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81005125
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
CID 114021534
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
2-chloro-5-hydroxy-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627741
N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide
CID 106627674
3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629287
3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 103209645
4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629289
2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 107983274

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide (CID 106627732) is 4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide is CN(CC1CCCNC1)C(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is AOPFNXNVRKIKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-18(9-10-3-2-6-17-8-10)14(19)11-4-5-12(15)13(16)7-11/h4-5,7,10,17H,2-3,6,8-9H2,1H3.
What are the key properties of 4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide?
4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 345.67 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 106627732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).