2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide

C19H21BrFNO3 — CID 78897124

IUPAC2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
SMILESCC(C)C(Oc1ccc(Br)cc1)C(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C19H21BrFNO3/c1-12(2)18(25-16-9-5-14(20)6-10-16)19(24)22-11-17(23)13-3-7-15(21)8-4-13/h3-10,12,17-18,23H,11H2,1-2H3,(H,22,24)
InChIKeyGGWHEWIJBHRAMQ-UHFFFAOYSA-N
MW410.28 g/mol
LogP3.84
Rot. Bonds7

About 2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide

2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide (PubChem CID 78897124) has the molecular formula C19H21BrFNO3 and a molecular weight of 410.28 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
PubChem CID78897124
Molecular FormulaC19H21BrFNO3
Molecular Weight410.28 g/mol
Exact Mass409.07
IUPAC Name2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
SMILESCC(C)C(Oc1ccc(Br)cc1)C(=O)NCC(O)c1ccc(F)cc1
InChIInChI=1S/C19H21BrFNO3/c1-12(2)18(25-16-9-5-14(20)6-10-16)19(24)22-11-17(23)13-3-7-15(21)8-4-13/h3-10,12,17-18,23H,11H2,1-2H3,(H,22,24)
InChIKeyGGWHEWIJBHRAMQ-UHFFFAOYSA-N
XLogP3.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenoxy)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 78893181
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743
(2R)-2-(4-bromophenoxy)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 92538260
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methylsulfonylpropanamide
CID 87016886
2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride
CID 119719440
2-(4-bromophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103769752
(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119328695
(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-(3-methylbutan-2-yl)urea
CID 110893315
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide (CID 78897124) is 2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide is CC(C)C(Oc1ccc(Br)cc1)C(=O)NCC(O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide?
The InChIKey is GGWHEWIJBHRAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFNO3/c1-12(2)18(25-16-9-5-14(20)6-10-16)19(24)22-11-17(23)13-3-7-15(21)8-4-13/h3-10,12,17-18,23H,11H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide?
2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide has a molecular weight of 410.28 g/mol, XLogP of 3.84, 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-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylbutanamide is sourced from PubChem (CID 78897124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).