3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide

C15H20BrNO2 — CID 115759781

IUPAC3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
SMILESCc1c(Br)cccc1C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C15H20BrNO2/c1-11-12(6-5-7-13(11)16)14(18)17(2)10-15(19)8-3-4-9-15/h5-7,19H,3-4,8-10H2,1-2H3
InChIKeyWDXMDDRYJUHVMU-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.13
Rot. Bonds3

About 3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide

3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide (PubChem CID 115759781) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
PubChem CID115759781
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
SMILESCc1c(Br)cccc1C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C15H20BrNO2/c1-11-12(6-5-7-13(11)16)14(18)17(2)10-15(19)8-3-4-9-15/h5-7,19H,3-4,8-10H2,1-2H3
InChIKeyWDXMDDRYJUHVMU-UHFFFAOYSA-N
XLogP3.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 114946671
2-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 114949568
2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 103840263
4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 115760193
3-bromo-N-(2-bromopropyl)-N,2-dimethylbenzamide
CID 80666003
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115760603
4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 103867312
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115759983
3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199925
5-bromo-N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide
CID 115759837
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 114946703
N-(3-amino-2,2-dimethylpropyl)-3-bromo-N,2-dimethylbenzamide
CID 79652685

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide?
The IUPAC name of 3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide (CID 115759781) is 3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide?
The canonical SMILES for 3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide is Cc1c(Br)cccc1C(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of 3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide?
The InChIKey is WDXMDDRYJUHVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-11-12(6-5-7-13(11)16)14(18)17(2)10-15(19)8-3-4-9-15/h5-7,19H,3-4,8-10H2,1-2H3.
What are the key properties of 3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide?
3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 115759781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).