(2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide

C17H15BrFNO3 — CID 8730300

IUPAC(2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide
SMILESCC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1F
InChIInChI=1S/C17H15BrFNO3/c1-10(21)13-5-3-4-6-15(13)20-17(22)11(2)23-16-8-7-12(18)9-14(16)19/h3-9,11H,1-2H3,(H,20,22)/t11-/m0/s1
InChIKeyFHSCGJLCTGQOIO-NSHDSACASA-N
MW380.21 g/mol
LogP4.20
Rot. Bonds5

About (2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide

(2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide (PubChem CID 8730300) has the molecular formula C17H15BrFNO3 and a molecular weight of 380.21 g/mol. Its IUPAC name is (2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide
PubChem CID8730300
Molecular FormulaC17H15BrFNO3
Molecular Weight380.21 g/mol
Exact Mass379.02
IUPAC Name(2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide
SMILESCC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1F
InChIInChI=1S/C17H15BrFNO3/c1-10(21)13-5-3-4-6-15(13)20-17(22)11(2)23-16-8-7-12(18)9-14(16)19/h3-9,11H,1-2H3,(H,20,22)/t11-/m0/s1
InChIKeyFHSCGJLCTGQOIO-NSHDSACASA-N
XLogP4.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-acetylphenyl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 8958059
(2S)-N-(3-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522807
2-[[(2S)-2-(2,4-difluorophenoxy)propanoyl]amino]benzamide
CID 42561609
(2S)-2-(4-bromo-2-fluorophenoxy)-N-(3-methylphenyl)propanamide
CID 7695759
5-bromo-2-fluoro-N'-[2-(2-fluorophenoxy)propanoyl]benzohydrazide
CID 43005319
2-(2,4-dibromophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55418069
N-(2-acetylphenyl)-5-bromo-2-fluorobenzamide
CID 24711733
2-(4-bromo-2-fluorophenoxy)-N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 154811264
(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522971
2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide
CID 40771324
(2R)-2-(2-bromophenoxy)-N-(2-fluorophenyl)propanamide
CID 7707082
N-(4-bromo-2-fluorophenyl)-2-(4-bromophenoxy)propanamide
CID 18084152

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide?
The IUPAC name of (2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide (CID 8730300) is (2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide?
The canonical SMILES for (2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide is CC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1F.
What is the InChIKey of (2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide?
The InChIKey is FHSCGJLCTGQOIO-NSHDSACASA-N. The full InChI is InChI=1S/C17H15BrFNO3/c1-10(21)13-5-3-4-6-15(13)20-17(22)11(2)23-16-8-7-12(18)9-14(16)19/h3-9,11H,1-2H3,(H,20,22)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide?
(2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide has a molecular weight of 380.21 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-acetylphenyl)-2-(4-bromo-2-fluorophenoxy)propanamide is sourced from PubChem (CID 8730300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).