(2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide

C13H15BrN2O2 — CID 95623381

IUPAC(2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide
SMILESC[C@@H](C#N)CNC(=O)[C@@H](C)Oc1ccccc1Br
InChIInChI=1S/C13H15BrN2O2/c1-9(7-15)8-16-13(17)10(2)18-12-6-4-3-5-11(12)14/h3-6,9-10H,8H2,1-2H3,(H,16,17)/t9-,10+/m0/s1
InChIKeyPDVVMCUHSMWUCM-VHSXEESVSA-N
MW311.18 g/mol
LogP2.49
Rot. Bonds5

About (2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide

(2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide (PubChem CID 95623381) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is (2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide
PubChem CID95623381
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name(2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide
SMILESC[C@@H](C#N)CNC(=O)[C@@H](C)Oc1ccccc1Br
InChIInChI=1S/C13H15BrN2O2/c1-9(7-15)8-16-13(17)10(2)18-12-6-4-3-5-11(12)14/h3-6,9-10H,8H2,1-2H3,(H,16,17)/t9-,10+/m0/s1
InChIKeyPDVVMCUHSMWUCM-VHSXEESVSA-N
XLogP2.49
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119502634
N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride
CID 119384173
(2R,4S)-4-(2-bromophenoxy)-2-cyano-N-methyl-3-oxopentanamide
CID 98360417
2-(2-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43117125
(2S)-2-(2-bromophenoxy)-N-[3-[(S)-methylsulfinyl]propyl]propanamide
CID 96526936
2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112777989
2-(2-bromophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17173386
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128
2-(2-cyanophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030552
(2S)-2-(2-bromophenoxy)-N-phenylpropanamide
CID 7394881
3-[2-(2-bromophenoxy)propanoylamino]butanoic acid
CID 119221619
(2R)-2-(2-bromophenoxy)-N-(2-fluorophenyl)propanamide
CID 7707082

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide?
The IUPAC name of (2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide (CID 95623381) is (2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide.
What is the SMILES notation for (2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide?
The canonical SMILES for (2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide is C[C@@H](C#N)CNC(=O)[C@@H](C)Oc1ccccc1Br.
What is the InChIKey of (2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide?
The InChIKey is PDVVMCUHSMWUCM-VHSXEESVSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-9(7-15)8-16-13(17)10(2)18-12-6-4-3-5-11(12)14/h3-6,9-10H,8H2,1-2H3,(H,16,17)/t9-,10+/m0/s1.
What are the key properties of (2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide?
(2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide has a molecular weight of 311.18 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide is sourced from PubChem (CID 95623381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).