N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide

C16H15Br2NO — CID 107233703

IUPACN-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCc1ccc(CBr)cc1
InChIInChI=1S/C16H15Br2NO/c17-10-13-1-3-14(4-2-13)11-19-16(20)9-12-5-7-15(18)8-6-12/h1-8H,9-11H2,(H,19,20)
InChIKeyWNLKXXVOSZVOJF-UHFFFAOYSA-N
MW397.11 g/mol
LogP4.20
Rot. Bonds5

About N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide

N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide (PubChem CID 107233703) has the molecular formula C16H15Br2NO and a molecular weight of 397.11 g/mol. Its IUPAC name is N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide
PubChem CID107233703
Molecular FormulaC16H15Br2NO
Molecular Weight397.11 g/mol
Exact Mass394.95
IUPAC NameN-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCc1ccc(CBr)cc1
InChIInChI=1S/C16H15Br2NO/c17-10-13-1-3-14(4-2-13)11-19-16(20)9-12-5-7-15(18)8-6-12/h1-8H,9-11H2,(H,19,20)
InChIKeyWNLKXXVOSZVOJF-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.11
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46591143
N-[(4-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78948071
N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62537978
N-[[4-(bromomethyl)phenyl]methyl]-2-thiophen-3-ylacetamide
CID 107233866
N-[(4-bromophenyl)methyl]-3-hydroxypropanamide
CID 115138976
N-[(4-bromophenyl)methyl]butanamide
CID 22503328
N-[[4-(bromomethyl)phenyl]methyl]-2-(2,6-difluorophenyl)acetamide
CID 107233811
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
N-(4-bromobutyl)-2-(4-bromophenyl)acetamide
CID 106845842
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide
CID 107233860
4-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 107233720
2-[(4-bromophenyl)methylamino]-2-oxoacetic acid;ethane
CID 145068790

Frequently Asked Questions

What is the IUPAC name of N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide?
The IUPAC name of N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide (CID 107233703) is N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide is O=C(Cc1ccc(Br)cc1)NCc1ccc(CBr)cc1.
What is the InChIKey of N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide?
The InChIKey is WNLKXXVOSZVOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO/c17-10-13-1-3-14(4-2-13)11-19-16(20)9-12-5-7-15(18)8-6-12/h1-8H,9-11H2,(H,19,20).
What are the key properties of N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide?
N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide has a molecular weight of 397.11 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 107233703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).