2-bromo-N-[2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]acetamide

C14H17BrFNO2 — CID 102548633

IUPAC2-bromo-N-[2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]acetamide
SMILESO=C(CBr)NCC(OCC1CC1)c1ccccc1F
InChIInChI=1S/C14H17BrFNO2/c15-7-14(18)17-8-13(19-9-10-5-6-10)11-3-1-2-4-12(11)16/h1-4,10,13H,5-9H2,(H,17,18)
InChIKeyLRPSJEHTDPFCLS-UHFFFAOYSA-N
MW330.20 g/mol
LogP2.80
Rot. Bonds7

About 2-bromo-N-[2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]acetamide

2-bromo-N-[2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]acetamide (PubChem CID 102548633) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is 2-bromo-N-[2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]acetamide
PubChem CID102548633
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name2-bromo-N-[2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]acetamide
SMILESO=C(CBr)NCC(OCC1CC1)c1ccccc1F
InChIInChI=1S/C14H17BrFNO2/c15-7-14(18)17-8-13(19-9-10-5-6-10)11-3-1-2-4-12(11)16/h1-4,10,13H,5-9H2,(H,17,18)
InChIKeyLRPSJEHTDPFCLS-UHFFFAOYSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-bromo-N-[(2S)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide
CID 97181646
(2S)-2-bromo-N-[(2R)-2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]propanamide
CID 97181643
2-(cyclopropylmethoxy)-N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]acetamide
CID 111451344
2-(2-fluorophenyl)-N-methyl-2-(oxolan-3-ylmethoxy)ethanamine
CID 62110742
4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565689
2-(2-cyclopropylethoxy)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 114157889
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(cyclopropylmethoxy)acetamide
CID 111450934
1-(cyclohexylmethoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62383305
N-[cyclopentyl-(2-fluorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119815713
N-(2-amino-2-phenylethyl)-2-(cyclopropylmethoxy)acetamide;hydrochloride
CID 119529587
N-ethyl-2-(2-fluorophenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 62108277
[2-cyclopropyl-1-(2-fluorophenyl)ethyl]hydrazine
CID 105216734

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-bromo-N-[2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]acetamide (CID 102548633) is 2-bromo-N-[2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-bromo-N-[2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]acetamide is O=C(CBr)NCC(OCC1CC1)c1ccccc1F.
What is the InChIKey of 2-bromo-N-[2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is LRPSJEHTDPFCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c15-7-14(18)17-8-13(19-9-10-5-6-10)11-3-1-2-4-12(11)16/h1-4,10,13H,5-9H2,(H,17,18).
What are the key properties of 2-bromo-N-[2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]acetamide?
2-bromo-N-[2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 330.20 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(cyclopropylmethoxy)-2-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 102548633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).