(2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide

C16H15BrFNO2 — CID 92679949

IUPAC(2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H15BrFNO2/c1-2-15(21-14-8-6-12(18)7-9-14)16(20)19-13-5-3-4-11(17)10-13/h3-10,15H,2H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyBYZITQDIKCKGOQ-HNNXBMFYSA-N
MW352.20 g/mol
LogP4.38
Rot. Bonds5

About (2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide

(2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide (PubChem CID 92679949) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is (2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide
PubChem CID92679949
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name(2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide
SMILESCC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H15BrFNO2/c1-2-15(21-14-8-6-12(18)7-9-14)16(20)19-13-5-3-4-11(17)10-13/h3-10,15H,2H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyBYZITQDIKCKGOQ-HNNXBMFYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenoxy)-N-(3-methylphenyl)butanamide
CID 53284409
2-(4-fluorophenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 43876065
N-(3-bromophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 46763093
(2S)-2-(4-fluorophenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 28578484
(2S)-2-(4-fluorophenoxy)-N-(3-prop-2-enoxyphenyl)butanamide
CID 28634034
(2S)-2-(4-fluorophenoxy)-N-(3-nitrophenyl)butanamide
CID 92682200
(2S)-N-(3,5-dichlorophenyl)-2-(4-fluorophenoxy)butanamide
CID 94020016
(2R)-2-(4-fluorophenoxy)-N-pyridin-3-ylbutanamide
CID 99131304
(2S)-2-(4-fluorophenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 99131421
2-(4-chlorophenoxy)-N-(4-fluorophenyl)butanamide
CID 53285318
2-phenoxy-N-(3-propan-2-yloxyphenyl)butanamide
CID 17154738
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide?
The IUPAC name of (2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide (CID 92679949) is (2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide.
What is the SMILES notation for (2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide?
The canonical SMILES for (2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide is CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of (2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide?
The InChIKey is BYZITQDIKCKGOQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-2-15(21-14-8-6-12(18)7-9-14)16(20)19-13-5-3-4-11(17)10-13/h3-10,15H,2H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide?
(2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide has a molecular weight of 352.20 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-bromophenyl)-2-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 92679949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).