2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide

C15H17Br2NO — CID 114372498

IUPAC2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
SMILESO=C(NCC(C1CC1)C1CC1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H17Br2NO/c16-11-5-6-14(17)12(7-11)15(19)18-8-13(9-1-2-9)10-3-4-10/h5-7,9-10,13H,1-4,8H2,(H,18,19)
InChIKeyYYGAMKUIYXSIRG-UHFFFAOYSA-N
MW387.12 g/mol
LogP4.38
Rot. Bonds5

About 2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide

2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide (PubChem CID 114372498) has the molecular formula C15H17Br2NO and a molecular weight of 387.12 g/mol. Its IUPAC name is 2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
PubChem CID114372498
Molecular FormulaC15H17Br2NO
Molecular Weight387.12 g/mol
Exact Mass384.97
IUPAC Name2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
SMILESO=C(NCC(C1CC1)C1CC1)c1cc(Br)ccc1Br
InChIInChI=1S/C15H17Br2NO/c16-11-5-6-14(17)12(7-11)15(19)18-8-13(9-1-2-9)10-3-4-10/h5-7,9-10,13H,1-4,8H2,(H,18,19)
InChIKeyYYGAMKUIYXSIRG-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.12
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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-(2,2-dicyclopropylethyl)benzamide
CID 103709264
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
N-(2-amino-2-cyclopropylethyl)-2,4-dibromobenzamide
CID 107940139
3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide
CID 103990086
2,5-dibromo-N-(2-chlorobutyl)benzamide
CID 114375877
N-(2-amino-2-cyclopropylethyl)-5-bromo-2-chlorobenzamide
CID 113282173
2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide
CID 114375751
methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate
CID 104920530
N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide
CID 107723246
N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide
CID 103714393

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide (CID 114372498) is 2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide is O=C(NCC(C1CC1)C1CC1)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide?
The InChIKey is YYGAMKUIYXSIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NO/c16-11-5-6-14(17)12(7-11)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 2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide?
2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide has a molecular weight of 387.12 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide is sourced from PubChem (CID 114372498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).