4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide

C17H18BrNO2 — CID 102904751

IUPAC4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide
SMILESCOCCc1ccccc1NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C17H18BrNO2/c1-21-11-10-14-4-2-3-5-16(14)19-17(20)15-8-6-13(12-18)7-9-15/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeySYXYDHUJYYOGNG-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.02
Rot. Bonds6

About 4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide

4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide (PubChem CID 102904751) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide
PubChem CID102904751
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide
SMILESCOCCc1ccccc1NC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C17H18BrNO2/c1-21-11-10-14-4-2-3-5-16(14)19-17(20)15-8-6-13(12-18)7-9-15/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeySYXYDHUJYYOGNG-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
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

4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 102851092
4-(bromomethyl)-N-(2-propylphenyl)benzamide
CID 102851108
4-(bromomethyl)-N-(2-propoxyphenyl)benzamide
CID 102851101
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
CID 102847778
2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102906466
2-[[4-(bromomethyl)benzoyl]amino]benzamide
CID 102850971
5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 102907527
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
CID 102905806
2-amino-5-fluoro-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102903161
2-[2-[(4-methoxybenzoyl)amino]phenyl]acetic acid
CID 62535136

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide (CID 102904751) is 4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide is COCCc1ccccc1NC(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide?
The InChIKey is SYXYDHUJYYOGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-21-11-10-14-4-2-3-5-16(14)19-17(20)15-8-6-13(12-18)7-9-15/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of 4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide?
4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide has a molecular weight of 348.24 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide is sourced from PubChem (CID 102904751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).