3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide

C16H22BrNO3 — CID 115362467

IUPAC3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
SMILESO=C(CCOc1ccc(Br)cc1)NCC1(CO)CCCC1
InChIInChI=1S/C16H22BrNO3/c17-13-3-5-14(6-4-13)21-10-7-15(20)18-11-16(12-19)8-1-2-9-16/h3-6,19H,1-2,7-12H2,(H,18,20)
InChIKeyDJWGOPQALPCTGR-UHFFFAOYSA-N
MW356.26 g/mol
LogP2.89
Rot. Bonds7

About 3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide

3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide (PubChem CID 115362467) has the molecular formula C16H22BrNO3 and a molecular weight of 356.26 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
PubChem CID115362467
Molecular FormulaC16H22BrNO3
Molecular Weight356.26 g/mol
Exact Mass355.08
IUPAC Name3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
SMILESO=C(CCOc1ccc(Br)cc1)NCC1(CO)CCCC1
InChIInChI=1S/C16H22BrNO3/c17-13-3-5-14(6-4-13)21-10-7-15(20)18-11-16(12-19)8-1-2-9-16/h3-6,19H,1-2,7-12H2,(H,18,20)
InChIKeyDJWGOPQALPCTGR-UHFFFAOYSA-N
XLogP2.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
2-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 115701234
1-[[4-(4-bromophenoxy)butanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115449683
3-(4-bromophenoxy)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877589
1-[3-(4-bromophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 43169472
4-(4-bromophenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 115668822
3-(4-bromophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43427786
[1-[[2-(4-bromophenoxy)ethylamino]methyl]cyclopropyl]methanol
CID 113313278
3-(3-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114750853
2-(4-ethylphenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362312
3-(4-bromophenoxy)-N-(2-bromoprop-2-enyl)propanamide
CID 47438875
1-(4-bromophenoxy)-3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propan-2-ol
CID 115359592

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide?
The IUPAC name of 3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide (CID 115362467) is 3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide.
What is the SMILES notation for 3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide?
The canonical SMILES for 3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide is O=C(CCOc1ccc(Br)cc1)NCC1(CO)CCCC1.
What is the InChIKey of 3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide?
The InChIKey is DJWGOPQALPCTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO3/c17-13-3-5-14(6-4-13)21-10-7-15(20)18-11-16(12-19)8-1-2-9-16/h3-6,19H,1-2,7-12H2,(H,18,20).
What are the key properties of 3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide?
3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide has a molecular weight of 356.26 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide is sourced from PubChem (CID 115362467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).