3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide

C17H17BrFNO — CID 127122417

IUPAC3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
SMILESO=C(CCc1cccc(Br)c1)NCCc1cccc(F)c1
InChIInChI=1S/C17H17BrFNO/c18-15-5-1-3-13(11-15)7-8-17(21)20-10-9-14-4-2-6-16(19)12-14/h1-6,11-12H,7-10H2,(H,20,21)
InChIKeyHQBRGNGSQYMYGC-UHFFFAOYSA-N
MW350.23 g/mol
LogP3.88
Rot. Bonds6

About 3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide

3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide (PubChem CID 127122417) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
PubChem CID127122417
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
SMILESO=C(CCc1cccc(Br)c1)NCCc1cccc(F)c1
InChIInChI=1S/C17H17BrFNO/c18-15-5-1-3-13(11-15)7-8-17(21)20-10-9-14-4-2-6-16(19)12-14/h1-6,11-12H,7-10H2,(H,20,21)
InChIKeyHQBRGNGSQYMYGC-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-N-[2-(3-bromophenyl)ethyl]propanamide
CID 94697083
3-[3-(3-bromophenyl)propanoylamino]propanoic acid
CID 43240494
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
CID 94697075
3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119502303
3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418848
N-(3-aminobutyl)-3-(3-bromophenyl)propanamide
CID 119497411
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
N-[2-(3-fluorophenyl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 18118760
N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110791794
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
N-[2-(3-fluorophenyl)ethyl]-2-isocyanoacetamide
CID 108814904
2-[[2-[3-(3-bromophenyl)propanoylamino]acetyl]amino]acetic acid
CID 43387616

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide (CID 127122417) is 3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide is O=C(CCc1cccc(Br)c1)NCCc1cccc(F)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide?
The InChIKey is HQBRGNGSQYMYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c18-15-5-1-3-13(11-15)7-8-17(21)20-10-9-14-4-2-6-16(19)12-14/h1-6,11-12H,7-10H2,(H,20,21).
What are the key properties of 3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide?
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide has a molecular weight of 350.23 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 127122417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).