N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide

C15H17BrClNO — CID 113229608

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide
SMILESO=C(NCC1CC2CCC1C2)c1cc(Cl)ccc1Br
InChIInChI=1S/C15H17BrClNO/c16-14-4-3-12(17)7-13(14)15(19)18-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H,18,19)
InChIKeyJCIWGVXVSKAGGC-UHFFFAOYSA-N
MW342.66 g/mol
LogP4.27
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide (PubChem CID 113229608) has the molecular formula C15H17BrClNO and a molecular weight of 342.66 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide
PubChem CID113229608
Molecular FormulaC15H17BrClNO
Molecular Weight342.66 g/mol
Exact Mass341.02
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide
SMILESO=C(NCC1CC2CCC1C2)c1cc(Cl)ccc1Br
InChIInChI=1S/C15H17BrClNO/c16-14-4-3-12(17)7-13(14)15(19)18-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H,18,19)
InChIKeyJCIWGVXVSKAGGC-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide
CID 63687169
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide
CID 62613246
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydroxybenzamide
CID 55232835
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide
CID 113229546
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide
CID 63686504
2-bromo-5-chloro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 114027684
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide
CID 63687178
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluoro-5-sulfanylbenzamide
CID 107029927
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide
CID 114038502
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2,4-dichlorophenyl)urea
CID 40648978
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(2,4-dichlorophenyl)urea
CID 40648977
1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide
CID 98155306

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide (CID 113229608) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide is O=C(NCC1CC2CCC1C2)c1cc(Cl)ccc1Br.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide?
The InChIKey is JCIWGVXVSKAGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNO/c16-14-4-3-12(17)7-13(14)15(19)18-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H,18,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide has a molecular weight of 342.66 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide is sourced from PubChem (CID 113229608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).