3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide

C15H20BrClN2O — CID 106629324

IUPAC3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCCN(CC1CCCNC1)C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C15H20BrClN2O/c1-2-19(10-11-5-4-8-18-9-11)15(20)12-6-3-7-13(16)14(12)17/h3,6-7,11,18H,2,4-5,8-10H2,1H3
InChIKeyUJFZVWKUVXCVMV-UHFFFAOYSA-N
MW359.70 g/mol
LogP3.56
Rot. Bonds4

About 3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide

3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide (PubChem CID 106629324) has the molecular formula C15H20BrClN2O and a molecular weight of 359.70 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide
PubChem CID106629324
Molecular FormulaC15H20BrClN2O
Molecular Weight359.70 g/mol
Exact Mass358.04
IUPAC Name3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide
SMILESCCN(CC1CCCNC1)C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C15H20BrClN2O/c1-2-19(10-11-5-4-8-18-9-11)15(20)12-6-3-7-13(16)14(12)17/h3,6-7,11,18H,2,4-5,8-10H2,1H3
InChIKeyUJFZVWKUVXCVMV-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629488
3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107098424
5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 106629633
3-bromo-2-chloro-N,N-diethylbenzamide
CID 103975185
3-bromo-N-cyclopropyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628507
4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629289
N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
CID 106629268
2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 107983274
2,3-dihydroxy-N-(piperidin-3-ylmethyl)-N-propylbenzamide
CID 106628169
3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629287
2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627953
3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 107956383

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide (CID 106629324) is 3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide is CCN(CC1CCCNC1)C(=O)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide?
The InChIKey is UJFZVWKUVXCVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O/c1-2-19(10-11-5-4-8-18-9-11)15(20)12-6-3-7-13(16)14(12)17/h3,6-7,11,18H,2,4-5,8-10H2,1H3.
What are the key properties of 3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide?
3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide has a molecular weight of 359.70 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 106629324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).