N-(4-bromophenyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]propanamide

C17H16BrFN2O3 — CID 47067523

IUPACN-(4-bromophenyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]propanamide
SMILESO=C(COc1cccc(F)c1)NCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H16BrFN2O3/c18-12-4-6-14(7-5-12)21-16(22)8-9-20-17(23)11-24-15-3-1-2-13(19)10-15/h1-7,10H,8-9,11H2,(H,20,23)(H,21,22)
InChIKeyPVUGUAHKPYWIMZ-UHFFFAOYSA-N
MW395.23 g/mol
LogP3.11
Rot. Bonds7

About N-(4-bromophenyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]propanamide

N-(4-bromophenyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]propanamide (PubChem CID 47067523) has the molecular formula C17H16BrFN2O3 and a molecular weight of 395.23 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]propanamide
PubChem CID47067523
Molecular FormulaC17H16BrFN2O3
Molecular Weight395.23 g/mol
Exact Mass394.03
IUPAC NameN-(4-bromophenyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]propanamide
SMILESO=C(COc1cccc(F)c1)NCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H16BrFN2O3/c18-12-4-6-14(7-5-12)21-16(22)8-9-20-17(23)11-24-15-3-1-2-13(19)10-15/h1-7,10H,8-9,11H2,(H,20,23)(H,21,22)
InChIKeyPVUGUAHKPYWIMZ-UHFFFAOYSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
5-[[2-(3-fluorophenoxy)acetyl]amino]pentanoic acid
CID 62032120
N-[4-(difluoromethoxy)phenyl]-2-(3-fluorophenoxy)acetamide
CID 2709478
methyl 4-[[2-(3-fluorophenoxy)acetyl]amino]benzoate
CID 7834630
2-(3-fluorophenoxy)-N-pentylacetamide
CID 110756252
methyl N-[4-[[[2-(3-fluorophenoxy)acetyl]amino]methyl]phenyl]carbamate
CID 60513687
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
N-(4-bromo-2-chlorophenyl)-2-(3-fluorophenoxy)acetamide
CID 8863320
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
N-(2-bromoprop-2-enyl)-2-(3-fluorophenoxy)acetamide
CID 115594649
N-[2-(3,4-difluorophenyl)ethyl]-2-(3-fluorophenoxy)acetamide
CID 110788271
3-(3-fluorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64794121

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]propanamide?
The IUPAC name of N-(4-bromophenyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]propanamide (CID 47067523) is N-(4-bromophenyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]propanamide is O=C(COc1cccc(F)c1)NCCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]propanamide?
The InChIKey is PVUGUAHKPYWIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O3/c18-12-4-6-14(7-5-12)21-16(22)8-9-20-17(23)11-24-15-3-1-2-13(19)10-15/h1-7,10H,8-9,11H2,(H,20,23)(H,21,22).
What are the key properties of N-(4-bromophenyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]propanamide?
N-(4-bromophenyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]propanamide has a molecular weight of 395.23 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[[2-(3-fluorophenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 47067523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).