2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide

C16H22Br2N2O — CID 107940286

IUPAC2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCCN1)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H22Br2N2O/c1-2-9-20(11-13-5-3-4-8-19-13)16(21)14-7-6-12(17)10-15(14)18/h6-7,10,13,19H,2-5,8-9,11H2,1H3
InChIKeyTYWBBIDHHIFWRT-UHFFFAOYSA-N
MW418.17 g/mol
LogP4.21
Rot. Bonds5

About 2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide

2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide (PubChem CID 107940286) has the molecular formula C16H22Br2N2O and a molecular weight of 418.17 g/mol. Its IUPAC name is 2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide
PubChem CID107940286
Molecular FormulaC16H22Br2N2O
Molecular Weight418.17 g/mol
Exact Mass416.01
IUPAC Name2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCCN1)C(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C16H22Br2N2O/c1-2-9-20(11-13-5-3-4-8-19-13)16(21)14-7-6-12(17)10-15(14)18/h6-7,10,13,19H,2-5,8-9,11H2,1H3
InChIKeyTYWBBIDHHIFWRT-UHFFFAOYSA-N
XLogP4.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.17
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106862424
2,4-dihydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625817
2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625849
2-bromo-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 107983269
5-fluoro-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625545
2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608591
5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609221
4-bromo-3-chloro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610449
N-(piperidin-2-ylmethyl)-N-propylpyridine-4-carboxamide
CID 106625818
3,4-dichloro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625495
5-iodo-N-(piperidin-2-ylmethyl)-N-propylthiophene-3-carboxamide
CID 106625541

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The IUPAC name of 2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide (CID 107940286) is 2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide is CCCN(CC1CCCCN1)C(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
The InChIKey is TYWBBIDHHIFWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Br2N2O/c1-2-9-20(11-13-5-3-4-8-19-13)16(21)14-7-6-12(17)10-15(14)18/h6-7,10,13,19H,2-5,8-9,11H2,1H3.
What are the key properties of 2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide?
2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide has a molecular weight of 418.17 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(piperidin-2-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 107940286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).