3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide

C15H20BrNO3 — CID 103279901

IUPAC3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
SMILESO=C(CCOc1ccc(Br)cc1)NCC1CCC(O)C1
InChIInChI=1S/C15H20BrNO3/c16-12-2-5-14(6-3-12)20-8-7-15(19)17-10-11-1-4-13(18)9-11/h2-3,5-6,11,13,18H,1,4,7-10H2,(H,17,19)
InChIKeyIQCCEKZUJBCVQO-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.50
Rot. Bonds6

About 3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide

3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide (PubChem CID 103279901) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
PubChem CID103279901
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
SMILESO=C(CCOc1ccc(Br)cc1)NCC1CCC(O)C1
InChIInChI=1S/C15H20BrNO3/c16-12-2-5-14(6-3-12)20-8-7-15(19)17-10-11-1-4-13(18)9-11/h2-3,5-6,11,13,18H,1,4,7-10H2,(H,17,19)
InChIKeyIQCCEKZUJBCVQO-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-3-(4-methylphenoxy)propanamide
CID 103280339
3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103279864
3-(2-fluorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103280030
3-(4-aminophenoxy)-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107411017
3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide
CID 47438875
2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide
CID 94168869
1-[2-(4-chlorophenoxy)ethyl]-3-[[(1S,3R)-3-hydroxycyclopentyl]methyl]urea
CID 99829031
3-(4-bromophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43427786
3-(3,5-dimethylphenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66006892
N-[(3-aminocyclohexyl)methyl]-3-phenoxypropanamide
CID 106123073
N-[(3-hydroxycyclopentyl)methyl]-3-phenylpropanamide
CID 103279802
1-(4-bromophenyl)-N-[(3-hydroxycyclopentyl)methyl]cyclopropane-1-carboxamide
CID 103280163

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide (CID 103279901) is 3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide is O=C(CCOc1ccc(Br)cc1)NCC1CCC(O)C1.
What is the InChIKey of 3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is IQCCEKZUJBCVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c16-12-2-5-14(6-3-12)20-8-7-15(19)17-10-11-1-4-13(18)9-11/h2-3,5-6,11,13,18H,1,4,7-10H2,(H,17,19).
What are the key properties of 3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide?
3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 342.23 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 103279901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).