3-(3-bromophenyl)-N-cyclopentyloxypropanamide

C14H18BrNO2 — CID 83203018

IUPAC3-(3-bromophenyl)-N-cyclopentyloxypropanamide
SMILESO=C(CCc1cccc(Br)c1)NOC1CCCC1
InChIInChI=1S/C14H18BrNO2/c15-12-5-3-4-11(10-12)8-9-14(17)16-18-13-6-1-2-7-13/h3-5,10,13H,1-2,6-9H2,(H,16,17)
InChIKeyKHXXDOMYYFUSJH-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.37
Rot. Bonds5

About 3-(3-bromophenyl)-N-cyclopentyloxypropanamide

3-(3-bromophenyl)-N-cyclopentyloxypropanamide (PubChem CID 83203018) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-cyclopentyloxypropanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-cyclopentyloxypropanamide
PubChem CID83203018
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name3-(3-bromophenyl)-N-cyclopentyloxypropanamide
SMILESO=C(CCc1cccc(Br)c1)NOC1CCCC1
InChIInChI=1S/C14H18BrNO2/c15-12-5-3-4-11(10-12)8-9-14(17)16-18-13-6-1-2-7-13/h3-5,10,13H,1-2,6-9H2,(H,16,17)
InChIKeyKHXXDOMYYFUSJH-UHFFFAOYSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(3-bromophenyl)propanoylamino]oxyacetic acid
CID 60667850
N-cyclopentyloxy-2-phenylacetamide
CID 83202949
3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462406
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
CID 94697075
3-(2-chlorophenyl)-N-cyclopentyloxypropanamide
CID 83202593
3-(3-bromophenyl)propanamide
CID 20823841
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride
CID 119566788
3-(3-bromophenyl)-N-cyanopropanamide
CID 79193690
3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide
CID 112760384
3-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119623707
(2S)-1-[3-(3-bromophenyl)propanoyl]piperidine-2-carboxylic acid
CID 66262981

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-cyclopentyloxypropanamide?
The IUPAC name of 3-(3-bromophenyl)-N-cyclopentyloxypropanamide (CID 83203018) is 3-(3-bromophenyl)-N-cyclopentyloxypropanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-cyclopentyloxypropanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-cyclopentyloxypropanamide is O=C(CCc1cccc(Br)c1)NOC1CCCC1.
What is the InChIKey of 3-(3-bromophenyl)-N-cyclopentyloxypropanamide?
The InChIKey is KHXXDOMYYFUSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c15-12-5-3-4-11(10-12)8-9-14(17)16-18-13-6-1-2-7-13/h3-5,10,13H,1-2,6-9H2,(H,16,17).
What are the key properties of 3-(3-bromophenyl)-N-cyclopentyloxypropanamide?
3-(3-bromophenyl)-N-cyclopentyloxypropanamide has a molecular weight of 312.21 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-cyclopentyloxypropanamide is sourced from PubChem (CID 83203018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).