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

C15H17BrClNO — CID 103990086

IUPAC3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide
SMILESO=C(NCC(C1CC1)C1CC1)c1cccc(Br)c1Cl
InChIInChI=1S/C15H17BrClNO/c16-13-3-1-2-11(14(13)17)15(19)18-8-12(9-4-5-9)10-6-7-10/h1-3,9-10,12H,4-8H2,(H,18,19)
InChIKeyPFSOHSBWTHJPDE-UHFFFAOYSA-N
MW342.66 g/mol
LogP4.27
Rot. Bonds5

About 3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide

3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide (PubChem CID 103990086) has the molecular formula C15H17BrClNO and a molecular weight of 342.66 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide
PubChem CID103990086
Molecular FormulaC15H17BrClNO
Molecular Weight342.66 g/mol
Exact Mass341.02
IUPAC Name3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide
SMILESO=C(NCC(C1CC1)C1CC1)c1cccc(Br)c1Cl
InChIInChI=1S/C15H17BrClNO/c16-13-3-1-2-11(14(13)17)15(19)18-8-12(9-4-5-9)10-6-7-10/h1-3,9-10,12H,4-8H2,(H,18,19)
InChIKeyPFSOHSBWTHJPDE-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-bromo-5-chloro-N-(2,2-dicyclopropylethyl)benzamide
CID 103709264
(2S)-3-[(3-bromo-2-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833301
3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 103988581
2,5-dibromo-N-(2,2-dicyclopropylethyl)benzamide
CID 114372498
N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide
CID 80712461
3-bromo-2-chloro-N-(2-hydroxyethyl)benzamide
CID 103993764
3-bromo-N-(2-chloro-2-cyclopropylethyl)-2-fluorobenzamide
CID 107956692
3-bromo-2-chloro-N-(oxan-4-ylmethyl)benzamide
CID 113362409
3-bromo-2-chloro-N-[cyclopropyl(phenyl)methyl]benzamide
CID 103982987
3-bromo-2-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
CID 113363834
N-(2-amino-1-cyclopentylethyl)-3-bromo-2-chlorobenzamide
CID 106737470
3-bromo-2-chloro-N-(2-cyclopentyloxyethyl)benzamide
CID 103995768

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide (CID 103990086) is 3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide is O=C(NCC(C1CC1)C1CC1)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide?
The InChIKey is PFSOHSBWTHJPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNO/c16-13-3-1-2-11(14(13)17)15(19)18-8-12(9-4-5-9)10-6-7-10/h1-3,9-10,12H,4-8H2,(H,18,19).
What are the key properties of 3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide?
3-bromo-2-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 3-bromo-2-chloro-N-(2,2-dicyclopropylethyl)benzamide is sourced from PubChem (CID 103990086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).