(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide

C16H13BrN2O2 — CID 7503268

IUPAC(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13BrN2O2/c1-11(21-15-8-2-12(10-18)3-9-15)16(20)19-14-6-4-13(17)5-7-14/h2-9,11H,1H3,(H,19,20)/t11-/m0/s1
InChIKeyAQQMAHHXTROCRX-NSHDSACASA-N
MW345.20 g/mol
LogP3.73
Rot. Bonds4

About (2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide

(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide (PubChem CID 7503268) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is (2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
PubChem CID7503268
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
SMILESC[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H13BrN2O2/c1-11(21-15-8-2-12(10-18)3-9-15)16(20)19-14-6-4-13(17)5-7-14/h2-9,11H,1H3,(H,19,20)/t11-/m0/s1
InChIKeyAQQMAHHXTROCRX-NSHDSACASA-N
XLogP3.73
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
(2R)-2-(4-cyanophenoxy)-N-(4-nitrophenyl)propanamide
CID 7832898
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052
(2R)-N-(4-cyanophenyl)-2-[4-(4-fluorobenzoyl)phenoxy]propanamide
CID 7433353
2-(4-cyanophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 16548273
2-(4-cyanophenoxy)-N-[4-(difluoromethylsulfanyl)phenyl]propanamide
CID 78773604
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide?
The IUPAC name of (2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide (CID 7503268) is (2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide is C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide?
The InChIKey is AQQMAHHXTROCRX-NSHDSACASA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-11(21-15-8-2-12(10-18)3-9-15)16(20)19-14-6-4-13(17)5-7-14/h2-9,11H,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide?
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide has a molecular weight of 345.20 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide is sourced from PubChem (CID 7503268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).