2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide

C15H17BrClNO — CID 103709264

IUPAC2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide
SMILESO=C(NCC(C1CC1)C1CC1)c1cc(Cl)ccc1Br
InChIInChI=1S/C15H17BrClNO/c16-14-6-5-11(17)7-12(14)15(19)18-8-13(9-1-2-9)10-3-4-10/h5-7,9-10,13H,1-4,8H2,(H,18,19)
InChIKeyDMKQKVPAYDBJKW-UHFFFAOYSA-N
MW342.66 g/mol
LogP4.27
Rot. Bonds5

About 2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide

2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide (PubChem CID 103709264) has the molecular formula C15H17BrClNO and a molecular weight of 342.66 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide
PubChem CID103709264
Molecular FormulaC15H17BrClNO
Molecular Weight342.66 g/mol
Exact Mass341.02
IUPAC Name2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide
SMILESO=C(NCC(C1CC1)C1CC1)c1cc(Cl)ccc1Br
InChIInChI=1S/C15H17BrClNO/c16-14-6-5-11(17)7-12(14)15(19)18-8-13(9-1-2-9)10-3-4-10/h5-7,9-10,13H,1-4,8H2,(H,18,19)
InChIKeyDMKQKVPAYDBJKW-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.66
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
CID 114372498
3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide
CID 103990086
N-(2-amino-3-methylbutyl)-2-bromo-5-chlorobenzamide
CID 113265782
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654149
5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
CID 103711996
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzamide
CID 114375801
2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 114027684
2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 78904784
5-chloro-N-(2-cyclopropylpropyl)-2-hydroxybenzamide
CID 115591206
1-[[(2-bromo-5-chlorobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 103925713
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide
CID 113229608

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide?
The IUPAC name of 2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide (CID 103709264) is 2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide is O=C(NCC(C1CC1)C1CC1)c1cc(Cl)ccc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide?
The InChIKey is DMKQKVPAYDBJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNO/c16-14-6-5-11(17)7-12(14)15(19)18-8-13(9-1-2-9)10-3-4-10/h5-7,9-10,13H,1-4,8H2,(H,18,19).
What are the key properties of 2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide?
2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide has a molecular weight of 342.66 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide is sourced from PubChem (CID 103709264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).