(2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide

C16H12BrClN2O2 — CID 8976471

IUPAC(2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1Cl)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrClN2O2/c1-10(16(21)20-13-5-3-12(17)4-6-13)22-15-7-2-11(9-19)8-14(15)18/h2-8,10H,1H3,(H,20,21)/t10-/m1/s1
InChIKeyOFJRXIIIXMTSPM-SNVBAGLBSA-N
MW379.64 g/mol
LogP4.38
Rot. Bonds4

About (2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide

(2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide (PubChem CID 8976471) has the molecular formula C16H12BrClN2O2 and a molecular weight of 379.64 g/mol. Its IUPAC name is (2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide
PubChem CID8976471
Molecular FormulaC16H12BrClN2O2
Molecular Weight379.64 g/mol
Exact Mass377.98
IUPAC Name(2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(C#N)cc1Cl)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrClN2O2/c1-10(16(21)20-13-5-3-12(17)4-6-13)22-15-7-2-11(9-19)8-14(15)18/h2-8,10H,1H3,(H,20,21)/t10-/m1/s1
InChIKeyOFJRXIIIXMTSPM-SNVBAGLBSA-N
XLogP4.38
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.64
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-cyanophenyl)propanamide
CID 8976802
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 8976528
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(3-methylphenyl)propanamide
CID 8976723
(2S)-2-(2-chloro-4-cyanophenoxy)-N-(3-chloro-4-fluorophenyl)propanamide
CID 9383960
2-(2-chloro-4-cyanophenoxy)-N-methylpropanamide
CID 60667353
(2R)-2-(2-chloro-4-cyanophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9383986
(2R)-2-(2-chloro-4-phenylphenoxy)-N-(4-cyanophenyl)propanamide
CID 7561215
(2R)-2-(4-bromo-2-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 2565130
N-(3-chloro-4-methoxyphenyl)-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 55422385
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268
2-(2-chloro-4-cyanophenoxy)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
CID 24500716

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide?
The IUPAC name of (2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide (CID 8976471) is (2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide.
What is the SMILES notation for (2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide?
The canonical SMILES for (2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide is C[C@@H](Oc1ccc(C#N)cc1Cl)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide?
The InChIKey is OFJRXIIIXMTSPM-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H12BrClN2O2/c1-10(16(21)20-13-5-3-12(17)4-6-13)22-15-7-2-11(9-19)8-14(15)18/h2-8,10H,1H3,(H,20,21)/t10-/m1/s1.
What are the key properties of (2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide?
(2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide has a molecular weight of 379.64 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-bromophenyl)-2-(2-chloro-4-cyanophenoxy)propanamide is sourced from PubChem (CID 8976471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).