2-amino-2-(3-bromophenyl)-N-[2-(3,4-difluorophenoxy)ethyl]propanamide

C17H17BrF2N2O2 — CID 166323733

IUPAC2-amino-2-(3-bromophenyl)-N-[2-(3,4-difluorophenoxy)ethyl]propanamide
SMILESCC(N)(C(=O)NCCOc1ccc(F)c(F)c1)c1cccc(Br)c1
InChIInChI=1S/C17H17BrF2N2O2/c1-17(21,11-3-2-4-12(18)9-11)16(23)22-7-8-24-13-5-6-14(19)15(20)10-13/h2-6,9-10H,7-8,21H2,1H3,(H,22,23)
InChIKeyXLGVKTFYOKYIOK-UHFFFAOYSA-N
MW399.24 g/mol
LogP3.10
Rot. Bonds6

About 2-amino-2-(3-bromophenyl)-N-[2-(3,4-difluorophenoxy)ethyl]propanamide

2-amino-2-(3-bromophenyl)-N-[2-(3,4-difluorophenoxy)ethyl]propanamide (PubChem CID 166323733) has the molecular formula C17H17BrF2N2O2 and a molecular weight of 399.24 g/mol. Its IUPAC name is 2-amino-2-(3-bromophenyl)-N-[2-(3,4-difluorophenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-2-(3-bromophenyl)-N-[2-(3,4-difluorophenoxy)ethyl]propanamide
PubChem CID166323733
Molecular FormulaC17H17BrF2N2O2
Molecular Weight399.24 g/mol
Exact Mass398.04
IUPAC Name2-amino-2-(3-bromophenyl)-N-[2-(3,4-difluorophenoxy)ethyl]propanamide
SMILESCC(N)(C(=O)NCCOc1ccc(F)c(F)c1)c1cccc(Br)c1
InChIInChI=1S/C17H17BrF2N2O2/c1-17(21,11-3-2-4-12(18)9-11)16(23)22-7-8-24-13-5-6-14(19)15(20)10-13/h2-6,9-10H,7-8,21H2,1H3,(H,22,23)
InChIKeyXLGVKTFYOKYIOK-UHFFFAOYSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[2-(3,4-difluorophenoxy)ethyl]benzamide
CID 113102457
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 120589464
2-amino-2-phenyl-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 120589463
1-[2-(3,4-difluorophenoxy)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 112976406
2-amino-2-phenyl-N-[2-(4-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride
CID 120589403
N-[2-(3,4-difluorophenoxy)ethyl]pentanamide
CID 113102441
2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide
CID 35057390
4-amino-N-[2-(3,4-difluorophenoxy)ethyl]butanamide;hydrochloride
CID 119320552
3-amino-N-[2-(3,4-difluorophenoxy)ethyl]-2-methylbutanamide;hydrochloride
CID 120500595
tert-butyl N-[3-(3-bromophenoxy)propyl]carbamate
CID 68922177
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
4-amino-N-[2-(3-bromophenoxy)ethyl]butanamide;hydrochloride
CID 119301997

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-bromophenyl)-N-[2-(3,4-difluorophenoxy)ethyl]propanamide?
The IUPAC name of 2-amino-2-(3-bromophenyl)-N-[2-(3,4-difluorophenoxy)ethyl]propanamide (CID 166323733) is 2-amino-2-(3-bromophenyl)-N-[2-(3,4-difluorophenoxy)ethyl]propanamide.
What is the SMILES notation for 2-amino-2-(3-bromophenyl)-N-[2-(3,4-difluorophenoxy)ethyl]propanamide?
The canonical SMILES for 2-amino-2-(3-bromophenyl)-N-[2-(3,4-difluorophenoxy)ethyl]propanamide is CC(N)(C(=O)NCCOc1ccc(F)c(F)c1)c1cccc(Br)c1.
What is the InChIKey of 2-amino-2-(3-bromophenyl)-N-[2-(3,4-difluorophenoxy)ethyl]propanamide?
The InChIKey is XLGVKTFYOKYIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF2N2O2/c1-17(21,11-3-2-4-12(18)9-11)16(23)22-7-8-24-13-5-6-14(19)15(20)10-13/h2-6,9-10H,7-8,21H2,1H3,(H,22,23).
What are the key properties of 2-amino-2-(3-bromophenyl)-N-[2-(3,4-difluorophenoxy)ethyl]propanamide?
2-amino-2-(3-bromophenyl)-N-[2-(3,4-difluorophenoxy)ethyl]propanamide has a molecular weight of 399.24 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-bromophenyl)-N-[2-(3,4-difluorophenoxy)ethyl]propanamide is sourced from PubChem (CID 166323733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).