4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide

C16H15Br2NO — CID 102850891

IUPAC4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(CBr)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15Br2NO/c1-11(13-6-8-15(18)9-7-13)19-16(20)14-4-2-12(10-17)3-5-14/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyNGSZSIQLGLVDQF-UHFFFAOYSA-N
MW397.11 g/mol
LogP4.84
Rot. Bonds4

About 4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide

4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide (PubChem CID 102850891) has the molecular formula C16H15Br2NO and a molecular weight of 397.11 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide
PubChem CID102850891
Molecular FormulaC16H15Br2NO
Molecular Weight397.11 g/mol
Exact Mass394.95
IUPAC Name4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(CBr)cc1)c1ccc(Br)cc1
InChIInChI=1S/C16H15Br2NO/c1-11(13-6-8-15(18)9-7-13)19-16(20)14-4-2-12(10-17)3-5-14/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyNGSZSIQLGLVDQF-UHFFFAOYSA-N
XLogP4.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.11
LogP ≤ 54.84
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

4-(bromomethyl)-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 102851910
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
4-(bromomethyl)-N-(1-thiophen-3-ylethyl)benzamide
CID 102851621
4-(bromomethyl)-N-[1-(3-hydroxyphenyl)ethyl]benzamide
CID 102851079
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 7948910
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
4-(bromomethyl)-N-pentan-2-ylbenzamide
CID 102850779
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide
CID 95356330
4-(bromomethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 102851500
N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 47097730

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide (CID 102850891) is 4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide is CC(NC(=O)c1ccc(CBr)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide?
The InChIKey is NGSZSIQLGLVDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO/c1-11(13-6-8-15(18)9-7-13)19-16(20)14-4-2-12(10-17)3-5-14/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of 4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide?
4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide has a molecular weight of 397.11 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[1-(4-bromophenyl)ethyl]benzamide is sourced from PubChem (CID 102850891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).