2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide

C19H18BrF2NO2 — CID 55965679

IUPAC2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C19H18BrF2NO2/c1-12(25-18-8-5-15(22)10-17(18)20)19(24)23(16-6-7-16)11-13-3-2-4-14(21)9-13/h2-5,8-10,12,16H,6-7,11H2,1H3
InChIKeyYBHHFLVBUBLKKK-UHFFFAOYSA-N
MW410.26 g/mol
LogP4.69
Rot. Bonds6

About 2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide

2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide (PubChem CID 55965679) has the molecular formula C19H18BrF2NO2 and a molecular weight of 410.26 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
PubChem CID55965679
Molecular FormulaC19H18BrF2NO2
Molecular Weight410.26 g/mol
Exact Mass409.05
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C19H18BrF2NO2/c1-12(25-18-8-5-15(22)10-17(18)20)19(24)23(16-6-7-16)11-13-3-2-4-14(21)9-13/h2-5,8-10,12,16H,6-7,11H2,1H3
InChIKeyYBHHFLVBUBLKKK-UHFFFAOYSA-N
XLogP4.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 38929220
2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 43077898
2-[2-(2-bromo-4-fluorophenoxy)propanoyl-cyclopropylamino]propanoic acid
CID 119203508
2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824478
(2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 124571160
N-[(3-bromophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenoxy)propanamide
CID 4526719
3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide
CID 119715345
2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide
CID 112786458
2-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]hexanamide
CID 60939195
2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 111663126
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
2-(2-bromo-4-fluorophenoxy)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 43077800

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide (CID 55965679) is 2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide is CC(Oc1ccc(F)cc1Br)C(=O)N(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide?
The InChIKey is YBHHFLVBUBLKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrF2NO2/c1-12(25-18-8-5-15(22)10-17(18)20)19(24)23(16-6-7-16)11-13-3-2-4-14(21)9-13/h2-5,8-10,12,16H,6-7,11H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide?
2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide has a molecular weight of 410.26 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 55965679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).