(2S)-2-(4-bromophenoxy)-N-(N-methoxy-C-methylcarbonimidoyl)propanamide

C12H15BrN2O3 — CID 164935392

IUPAC(2S)-2-(4-bromophenoxy)-N-(N-methoxy-C-methylcarbonimidoyl)propanamide
SMILESCON=C(C)NC(=O)[C@H](C)Oc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O3/c1-8(12(16)14-9(2)15-17-3)18-11-6-4-10(13)5-7-11/h4-8H,1-3H3,(H,14,15,16)/t8-/m0/s1
InChIKeyJSWXECQSXCWGJV-QMMMGPOBSA-N
MW315.17 g/mol
LogP2.31
Rot. Bonds4

About (2S)-2-(4-bromophenoxy)-N-(N-methoxy-C-methylcarbonimidoyl)propanamide

(2S)-2-(4-bromophenoxy)-N-(N-methoxy-C-methylcarbonimidoyl)propanamide (PubChem CID 164935392) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is (2S)-2-(4-bromophenoxy)-N-(N-methoxy-C-methylcarbonimidoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromophenoxy)-N-(N-methoxy-C-methylcarbonimidoyl)propanamide
PubChem CID164935392
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name(2S)-2-(4-bromophenoxy)-N-(N-methoxy-C-methylcarbonimidoyl)propanamide
SMILESCON=C(C)NC(=O)[C@H](C)Oc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN2O3/c1-8(12(16)14-9(2)15-17-3)18-11-6-4-10(13)5-7-11/h4-8H,1-3H3,(H,14,15,16)/t8-/m0/s1
InChIKeyJSWXECQSXCWGJV-QMMMGPOBSA-N
XLogP2.31
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-(4-bromophenoxy)-N-(N-methoxy-C-methylcarbonimidoyl)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

(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
2-(4-bromophenoxy)-N-(ethylideneamino)propanamide
CID 4633825
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
(2S)-2-(4-bromophenoxy)-N-cyanopropanamide
CID 164935402
2-[2-(4-bromophenoxy)propanoylamino]propanoic acid
CID 18837935
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158
1-[2-(4-bromophenoxy)propanoylamino]cyclopropane-1-carboxylic acid
CID 65451169
2-(4-bromophenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 2953803
(2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94843875
2-(4-bromophenoxy)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 18083742
3-[4-(4-bromophenyl)phenoxy]butan-2-one
CID 62033260

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenoxy)-N-(N-methoxy-C-methylcarbonimidoyl)propanamide?
The IUPAC name of (2S)-2-(4-bromophenoxy)-N-(N-methoxy-C-methylcarbonimidoyl)propanamide (CID 164935392) is (2S)-2-(4-bromophenoxy)-N-(N-methoxy-C-methylcarbonimidoyl)propanamide.
What is the SMILES notation for (2S)-2-(4-bromophenoxy)-N-(N-methoxy-C-methylcarbonimidoyl)propanamide?
The canonical SMILES for (2S)-2-(4-bromophenoxy)-N-(N-methoxy-C-methylcarbonimidoyl)propanamide is CON=C(C)NC(=O)[C@H](C)Oc1ccc(Br)cc1.
What is the InChIKey of (2S)-2-(4-bromophenoxy)-N-(N-methoxy-C-methylcarbonimidoyl)propanamide?
The InChIKey is JSWXECQSXCWGJV-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-8(12(16)14-9(2)15-17-3)18-11-6-4-10(13)5-7-11/h4-8H,1-3H3,(H,14,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenoxy)-N-(N-methoxy-C-methylcarbonimidoyl)propanamide?
(2S)-2-(4-bromophenoxy)-N-(N-methoxy-C-methylcarbonimidoyl)propanamide has a molecular weight of 315.17 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenoxy)-N-(N-methoxy-C-methylcarbonimidoyl)propanamide is sourced from PubChem (CID 164935392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).