N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide

C17H22BrNO2 — CID 63682333

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC2CC3CCC2C3)cc1Br
InChIInChI=1S/C17H22BrNO2/c1-19(10-14-8-11-3-4-12(14)7-11)17(20)13-5-6-16(21-2)15(18)9-13/h5-6,9,11-12,14H,3-4,7-8,10H2,1-2H3
InChIKeyJCFAXHYBKGRQBZ-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.97
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide (PubChem CID 63682333) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide
PubChem CID63682333
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC2CC3CCC2C3)cc1Br
InChIInChI=1S/C17H22BrNO2/c1-19(10-14-8-11-3-4-12(14)7-11)17(20)13-5-6-16(21-2)15(18)9-13/h5-6,9,11-12,14H,3-4,7-8,10H2,1-2H3
InChIKeyJCFAXHYBKGRQBZ-UHFFFAOYSA-N
XLogP3.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide with MolForge

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Related Compounds

3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide
CID 63688831
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728501
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide
CID 66464343
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-dibromo-N-methylbenzamide
CID 107952430
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide
CID 63682271
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 63686305
N-(2-amino-2-oxoethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 47210346
6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63686486
3-bromo-N-(3-hydroxybutyl)-4-methoxy-N-methylbenzamide
CID 113254689
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-bromo-4-methoxyphenyl)propan-2-ol
CID 115779476
3-bromo-N-(cyclopropylmethyl)-4-methoxy-N-propan-2-ylbenzamide
CID 54942821
1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-bromo-4-methoxyphenyl)methyl]methanamine
CID 63681912

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide (CID 63682333) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CC2CC3CCC2C3)cc1Br.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide?
The InChIKey is JCFAXHYBKGRQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-19(10-14-8-11-3-4-12(14)7-11)17(20)13-5-6-16(21-2)15(18)9-13/h5-6,9,11-12,14H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide has a molecular weight of 352.27 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 63682333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).