2-(4-bromo-2-fluorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide

C18H17BrFNO2 — CID 46533074

IUPAC2-(4-bromo-2-fluorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1F)NCC1(c2ccccc2)CC1
InChIInChI=1S/C18H17BrFNO2/c19-14-6-7-16(15(20)10-14)23-11-17(22)21-12-18(8-9-18)13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,21,22)
InChIKeyCLBYYPKZUDOAEZ-UHFFFAOYSA-N
MW378.24 g/mol
LogP3.82
Rot. Bonds6

About 2-(4-bromo-2-fluorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide

2-(4-bromo-2-fluorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide (PubChem CID 46533074) has the molecular formula C18H17BrFNO2 and a molecular weight of 378.24 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide
PubChem CID46533074
Molecular FormulaC18H17BrFNO2
Molecular Weight378.24 g/mol
Exact Mass377.04
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESO=C(COc1ccc(Br)cc1F)NCC1(c2ccccc2)CC1
InChIInChI=1S/C18H17BrFNO2/c19-14-6-7-16(15(20)10-14)23-11-17(22)21-12-18(8-9-18)13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,21,22)
InChIKeyCLBYYPKZUDOAEZ-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.24
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 42145569
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(2-methylphenoxy)acetamide
CID 42266086
2-(4-bromo-2-fluorophenoxy)-N-prop-2-ynylacetamide
CID 8808257
2-(2-methoxyphenoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128274
2-(4-bromo-2-fluorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]acetamide
CID 66005157
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N-(4-bromophenyl)acetamide
CID 55879510
2-(4-bromo-2-fluorophenoxy)-N-(3-methylbutyl)acetamide
CID 78766268
2-(4-bromo-2-fluorophenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 2620956
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27693652
2-(2,4-difluorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362465
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
(2S)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]butanedioic acid
CID 112732904

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide (CID 46533074) is 2-(4-bromo-2-fluorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide is O=C(COc1ccc(Br)cc1F)NCC1(c2ccccc2)CC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide?
The InChIKey is CLBYYPKZUDOAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrFNO2/c19-14-6-7-16(15(20)10-14)23-11-17(22)21-12-18(8-9-18)13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,21,22).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide?
2-(4-bromo-2-fluorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide has a molecular weight of 378.24 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-[(1-phenylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 46533074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).