2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide

C15H20BrNO3 — CID 114751607

IUPAC2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCC1(CCO)CC1
InChIInChI=1S/C15H20BrNO3/c1-11(20-13-4-2-12(16)3-5-13)14(19)17-10-15(6-7-15)8-9-18/h2-5,11,18H,6-10H2,1H3,(H,17,19)
InChIKeyPDFVSWHXMBJWKE-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.50
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide

2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide (PubChem CID 114751607) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
PubChem CID114751607
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)NCC1(CCO)CC1
InChIInChI=1S/C15H20BrNO3/c1-11(20-13-4-2-12(16)3-5-13)14(19)17-10-15(6-7-15)8-9-18/h2-5,11,18H,6-10H2,1H3,(H,17,19)
InChIKeyPDFVSWHXMBJWKE-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717682
2-(2-chlorophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
CID 114751285
2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433897
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027
2-(4-cyanophenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80716354
2-(4-bromophenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 65112101
2-(4-bromophenoxy)-N-(2,3-dihydroxy-2-methylpropyl)propanamide
CID 66170661
2-(4-bromophenoxy)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 78893181
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
1-[2-(4-bromophenoxy)propanoylamino]cyclopropane-1-carboxylic acid
CID 65451169
2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103769752
4-[2-(4-bromophenoxy)propanoylamino]-3-methylbutanoic acid
CID 81063444

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide (CID 114751607) is 2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide is CC(Oc1ccc(Br)cc1)C(=O)NCC1(CCO)CC1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
The InChIKey is PDFVSWHXMBJWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-11(20-13-4-2-12(16)3-5-13)14(19)17-10-15(6-7-15)8-9-18/h2-5,11,18H,6-10H2,1H3,(H,17,19).
What are the key properties of 2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide has a molecular weight of 342.23 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 114751607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).