4-bromo-N-cyclopentyl-3-methylbenzamide

C13H16BrNO — CID 46738751

IUPAC4-bromo-N-cyclopentyl-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCC2)ccc1Br
InChIInChI=1S/C13H16BrNO/c1-9-8-10(6-7-12(9)14)13(16)15-11-4-2-3-5-11/h6-8,11H,2-5H2,1H3,(H,15,16)
InChIKeyKYSNMNKVEXNILT-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.43
Rot. Bonds2

About 4-bromo-N-cyclopentyl-3-methylbenzamide

4-bromo-N-cyclopentyl-3-methylbenzamide (PubChem CID 46738751) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 4-bromo-N-cyclopentyl-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-cyclopentyl-3-methylbenzamide
PubChem CID46738751
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name4-bromo-N-cyclopentyl-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCC2)ccc1Br
InChIInChI=1S/C13H16BrNO/c1-9-8-10(6-7-12(9)14)13(16)15-11-4-2-3-5-11/h6-8,11H,2-5H2,1H3,(H,15,16)
InChIKeyKYSNMNKVEXNILT-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-methyl-N-(4-oxocyclohexyl)benzamide
CID 113396728
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
N-cyclobutyl-3,4-dimethylbenzamide;ethane
CID 142916267
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
4-bromo-3-chloro-N-cyclohexylbenzamide
CID 81295345
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
4-bromo-3-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995538
N-cyclopentyl-4-methyl-3-(trifluoromethyl)benzamide;ethane
CID 143518769
4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide
CID 103888174
[4-[(4-bromo-3-methylbenzoyl)amino]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174784551
4-bromo-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103855353

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopentyl-3-methylbenzamide?
The IUPAC name of 4-bromo-N-cyclopentyl-3-methylbenzamide (CID 46738751) is 4-bromo-N-cyclopentyl-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-cyclopentyl-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-cyclopentyl-3-methylbenzamide is Cc1cc(C(=O)NC2CCCC2)ccc1Br.
What is the InChIKey of 4-bromo-N-cyclopentyl-3-methylbenzamide?
The InChIKey is KYSNMNKVEXNILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-9-8-10(6-7-12(9)14)13(16)15-11-4-2-3-5-11/h6-8,11H,2-5H2,1H3,(H,15,16).
What are the key properties of 4-bromo-N-cyclopentyl-3-methylbenzamide?
4-bromo-N-cyclopentyl-3-methylbenzamide has a molecular weight of 282.18 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopentyl-3-methylbenzamide is sourced from PubChem (CID 46738751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).