2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide

C14H18Br2N2O — CID 114371806

IUPAC2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
SMILESCCN1CCC(NC(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C14H18Br2N2O/c1-2-18-7-5-11(6-8-18)17-14(19)12-9-10(15)3-4-13(12)16/h3-4,9,11H,2,5-8H2,1H3,(H,17,19)
InChIKeyDKNKZYIWOOUFKG-UHFFFAOYSA-N
MW390.12 g/mol
LogP3.43
Rot. Bonds3

About 2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide

2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide (PubChem CID 114371806) has the molecular formula C14H18Br2N2O and a molecular weight of 390.12 g/mol. Its IUPAC name is 2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
PubChem CID114371806
Molecular FormulaC14H18Br2N2O
Molecular Weight390.12 g/mol
Exact Mass387.98
IUPAC Name2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
SMILESCCN1CCC(NC(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C14H18Br2N2O/c1-2-18-7-5-11(6-8-18)17-14(19)12-9-10(15)3-4-13(12)16/h3-4,9,11H,2,5-8H2,1H3,(H,17,19)
InChIKeyDKNKZYIWOOUFKG-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.12
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(1-ethylpiperidin-4-yl)-5-methylbenzamide
CID 80963448
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603311
2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide
CID 79722366
5-bromo-2-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 65306983
2,4-dichloro-N-(1-ethylpiperidin-4-yl)benzamide
CID 17174058
N-(1-ethylpiperidin-4-yl)-2,4-difluorobenzamide
CID 36811979
5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide
CID 113240326
5-bromo-N-cyclopropyl-2-ethoxybenzamide
CID 135563587
5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
CID 61138909
2,5-dibromo-N-(3-methoxycyclobutyl)benzamide
CID 104920723
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide?
The IUPAC name of 2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide (CID 114371806) is 2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide is CCN1CCC(NC(=O)c2cc(Br)ccc2Br)CC1.
What is the InChIKey of 2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide?
The InChIKey is DKNKZYIWOOUFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Br2N2O/c1-2-18-7-5-11(6-8-18)17-14(19)12-9-10(15)3-4-13(12)16/h3-4,9,11H,2,5-8H2,1H3,(H,17,19).
What are the key properties of 2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide?
2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide has a molecular weight of 390.12 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 114371806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).