N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide

C17H18BrNO2 — CID 114309727

IUPACN-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccccc2CBr)c1
InChIInChI=1S/C17H18BrNO2/c1-13-5-4-7-15(11-13)21-10-9-17(20)19-16-8-3-2-6-14(16)12-18/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyONUDVQDAXORIAM-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.30
Rot. Bonds6

About N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide

N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide (PubChem CID 114309727) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide
PubChem CID114309727
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC NameN-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2ccccc2CBr)c1
InChIInChI=1S/C17H18BrNO2/c1-13-5-4-7-15(11-13)21-10-9-17(20)19-16-8-3-2-6-14(16)12-18/h2-8,11H,9-10,12H2,1H3,(H,19,20)
InChIKeyONUDVQDAXORIAM-UHFFFAOYSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-3-(3-methylphenoxy)propanamide
CID 119439844
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689
N-(2-ethoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2939056
N-(2-bromo-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 82712318
N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 17395169
2-[2-[3-(3,5-dimethylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218262
N-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 808300
4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 19173643
N-(2-ethylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 27121748
N-(6-bromo-2-methyl-3-pyridinyl)-3-(3-methylphenoxy)propanamide
CID 103909587
N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646
3-(3,4-dimethylphenoxy)-N-(2-ethylphenyl)propanamide
CID 39992819

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide (CID 114309727) is N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)Nc2ccccc2CBr)c1.
What is the InChIKey of N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is ONUDVQDAXORIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-13-5-4-7-15(11-13)21-10-9-17(20)19-16-8-3-2-6-14(16)12-18/h2-8,11H,9-10,12H2,1H3,(H,19,20).
What are the key properties of N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide?
N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 348.24 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)phenyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 114309727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).