(2S)-2-(2-bromophenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide

C14H16BrN3O2 — CID 96526742

IUPAC(2S)-2-(2-bromophenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESC[C@H](Oc1ccccc1Br)C(=O)NCc1nccn1C
InChIInChI=1S/C14H16BrN3O2/c1-10(20-12-6-4-3-5-11(12)15)14(19)17-9-13-16-7-8-18(13)2/h3-8,10H,9H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyFJVSKQAOBIVMRA-JTQLQIEISA-N
MW338.21 g/mol
LogP2.27
Rot. Bonds5

About (2S)-2-(2-bromophenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide

(2S)-2-(2-bromophenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 96526742) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is (2S)-2-(2-bromophenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-bromophenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID96526742
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name(2S)-2-(2-bromophenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESC[C@H](Oc1ccccc1Br)C(=O)NCc1nccn1C
InChIInChI=1S/C14H16BrN3O2/c1-10(20-12-6-4-3-5-11(12)15)14(19)17-9-13-16-7-8-18(13)2/h3-8,10H,9H2,1-2H3,(H,17,19)/t10-/m0/s1
InChIKeyFJVSKQAOBIVMRA-JTQLQIEISA-N
XLogP2.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(2-bromophenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
(2R)-2-(2-bromophenoxy)-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 95623315
(2S)-2-(2-bromophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 97064315
2-(2-bromophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17173386
(2R)-2-(2-bromophenoxy)-N-[3-(1-methylimidazol-2-yl)-1,2-oxazol-5-yl]propanamide
CID 97065455
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
N-(2-aminoethyl)-2-(2-bromophenoxy)propanamide;hydrochloride
CID 119384173
2-(2-bromophenoxy)-N-[2-(methylamino)ethyl]propanamide;hydrochloride
CID 119502634
2-(2-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43117125
2-[2-(aminomethyl)phenoxy]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63295676
(2R)-2-(2-bromophenoxy)-N-[(2R)-2-cyanopropyl]propanamide
CID 95623381
(2S)-2-(2-bromophenoxy)-N-[3-[(S)-methylsulfinyl]propyl]propanamide
CID 96526936

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromophenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of (2S)-2-(2-bromophenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide (CID 96526742) is (2S)-2-(2-bromophenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(2-bromophenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for (2S)-2-(2-bromophenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide is C[C@H](Oc1ccccc1Br)C(=O)NCc1nccn1C.
What is the InChIKey of (2S)-2-(2-bromophenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is FJVSKQAOBIVMRA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-10(20-12-6-4-3-5-11(12)15)14(19)17-9-13-16-7-8-18(13)2/h3-8,10H,9H2,1-2H3,(H,17,19)/t10-/m0/s1.
What are the key properties of (2S)-2-(2-bromophenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide?
(2S)-2-(2-bromophenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 338.21 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromophenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 96526742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).