2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide

C15H20BrNO3 — CID 64913623

IUPAC2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NCC1CCCCC1O
InChIInChI=1S/C15H20BrNO3/c16-12-5-7-13(8-6-12)20-10-15(19)17-9-11-3-1-2-4-14(11)18/h5-8,11,14,18H,1-4,9-10H2,(H,17,19)
InChIKeyRSEQMPNLUFNSDH-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.50
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide

2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide (PubChem CID 64913623) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide
PubChem CID64913623
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1)NCC1CCCCC1O
InChIInChI=1S/C15H20BrNO3/c16-12-5-7-13(8-6-12)20-10-15(19)17-9-11-3-1-2-4-14(11)18/h5-8,11,14,18H,1-4,9-10H2,(H,17,19)
InChIKeyRSEQMPNLUFNSDH-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-(cyclobutylmethyl)acetamide
CID 94168869
2-(4-bromophenoxy)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103798457
N-[[2-[[(2-phenoxyacetyl)amino]methyl]cyclohexyl]methyl]propanamide
CID 159510445
2-(4-bromophenoxy)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 9087668
2-[[2-(4-bromophenoxy)acetyl]amino]acetamide
CID 9011663
2-(4-bromophenoxy)-N'-(2-cyclopentylsulfanylacetyl)acetohydrazide
CID 8763584
N-[(2-hydroxycyclopentyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 111471301
3-[[2-(4-bromophenoxy)acetyl]amino]propanamide
CID 122142658
2-[4-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)acetamide
CID 43370712
trans-(1R,2R)-2-[[[2-(4-bromophenoxy)acetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 1049136
2-(4-bromophenoxy)-1-cyclohexylethanone
CID 115582228
N-(2-aminoethyl)-2-(4-bromophenoxy)acetamide;hydrochloride
CID 119382433

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide (CID 64913623) is 2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide is O=C(COc1ccc(Br)cc1)NCC1CCCCC1O.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is RSEQMPNLUFNSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c16-12-5-7-13(8-6-12)20-10-15(19)17-9-11-3-1-2-4-14(11)18/h5-8,11,14,18H,1-4,9-10H2,(H,17,19).
What are the key properties of 2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide?
2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 342.23 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(2-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 64913623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).