N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide

C15H20BrNO3 — CID 138024366

IUPACN-[(3-bromo-5-methoxyphenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCOc1cc(Br)cc(CNC(=O)CC2(O)CCCC2)c1
InChIInChI=1S/C15H20BrNO3/c1-20-13-7-11(6-12(16)8-13)10-17-14(18)9-15(19)4-2-3-5-15/h6-8,19H,2-5,9-10H2,1H3,(H,17,18)
InChIKeyGBUAQOINYAODNI-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.77
Rot. Bonds5

About N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide

N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 138024366) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[(3-bromo-5-methoxyphenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
PubChem CID138024366
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC NameN-[(3-bromo-5-methoxyphenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCOc1cc(Br)cc(CNC(=O)CC2(O)CCCC2)c1
InChIInChI=1S/C15H20BrNO3/c1-20-13-7-11(6-12(16)8-13)10-17-14(18)9-15(19)4-2-3-5-15/h6-8,19H,2-5,9-10H2,1H3,(H,17,18)
InChIKeyGBUAQOINYAODNI-UHFFFAOYSA-N
XLogP2.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxycyclopentyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 111430199
2-(1-hydroxycyclohexyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 111537902
2-(1-hydroxycyclohexyl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 111331803
N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 138024373
N-[(3-bromo-5-methoxyphenyl)methyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 138024351
1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43396506
N-[(3-chlorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430252
1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111425507
2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide
CID 82867398
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430735
1-hydroxy-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 140694545

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide (CID 138024366) is N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide is COc1cc(Br)cc(CNC(=O)CC2(O)CCCC2)c1.
What is the InChIKey of N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is GBUAQOINYAODNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-20-13-7-11(6-12(16)8-13)10-17-14(18)9-15(19)4-2-3-5-15/h6-8,19H,2-5,9-10H2,1H3,(H,17,18).
What are the key properties of N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide?
N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 342.23 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-methoxyphenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 138024366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).