N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide

C12H15BrN2O2 — CID 63680059

IUPACN-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)CBr)c1
InChIInChI=1S/C12H15BrN2O2/c1-3-11(16)14-9-5-4-8(2)10(6-9)15-12(17)7-13/h4-6H,3,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyURVBDMDJEAIEET-UHFFFAOYSA-N
MW299.17 g/mol
LogP2.68
Rot. Bonds4

About N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide

N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide (PubChem CID 63680059) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
PubChem CID63680059
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)CBr)c1
InChIInChI=1S/C12H15BrN2O2/c1-3-11(16)14-9-5-4-8(2)10(6-9)15-12(17)7-13/h4-6H,3,7H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyURVBDMDJEAIEET-UHFFFAOYSA-N
XLogP2.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 107908652
2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 62836559
N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54815356
N-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide
CID 54817965
6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
CID 43700728
N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
CID 46761053
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487344
N-[5-[[2-(2,3-dimethylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54816178
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
N-[3-[[2-(3-hydroxyphenyl)acetyl]amino]-4-methylphenyl]propanamide
CID 86865777
2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 43700724

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide?
The IUPAC name of N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide (CID 63680059) is N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(NC(=O)CBr)c1.
What is the InChIKey of N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide?
The InChIKey is URVBDMDJEAIEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-3-11(16)14-9-5-4-8(2)10(6-9)15-12(17)7-13/h4-6H,3,7H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide?
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide has a molecular weight of 299.17 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide is sourced from PubChem (CID 63680059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).