N-[(4-bromophenyl)methyl]-4-ethylbenzamide

C16H16BrNO — CID 61400403

IUPACN-[(4-bromophenyl)methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO/c1-2-12-3-7-14(8-4-12)16(19)18-11-13-5-9-15(17)10-6-13/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyWGQWBRXIZLYFMA-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.94
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-4-ethylbenzamide

N-[(4-bromophenyl)methyl]-4-ethylbenzamide (PubChem CID 61400403) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-ethylbenzamide
PubChem CID61400403
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC NameN-[(4-bromophenyl)methyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NCc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H16BrNO/c1-2-12-3-7-14(8-4-12)16(19)18-11-13-5-9-15(17)10-6-13/h3-10H,2,11H2,1H3,(H,18,19)
InChIKeyWGQWBRXIZLYFMA-UHFFFAOYSA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
N-[[4-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 60918762
4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide
CID 107233417
4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
CID 4278402
3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide
CID 106899931
3-amino-5-bromo-N-[(4-ethylphenyl)methyl]benzamide
CID 106899126
N-ethyl-4-[[(4-ethylphenyl)methylcarbamoylamino]methyl]benzamide
CID 119041396
4-bromo-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 38122539
N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
CID 61400488
N-[(4-ethylphenyl)methyl]-4-nitrobenzamide
CID 71822483
N-[(3,5-difluorophenyl)methyl]-4-ethylbenzamide
CID 71822308
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-ethylbenzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-ethylbenzamide (CID 61400403) is N-[(4-bromophenyl)methyl]-4-ethylbenzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-ethylbenzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-ethylbenzamide is CCc1ccc(C(=O)NCc2ccc(Br)cc2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-ethylbenzamide?
The InChIKey is WGQWBRXIZLYFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-2-12-3-7-14(8-4-12)16(19)18-11-13-5-9-15(17)10-6-13/h3-10H,2,11H2,1H3,(H,18,19).
What are the key properties of N-[(4-bromophenyl)methyl]-4-ethylbenzamide?
N-[(4-bromophenyl)methyl]-4-ethylbenzamide has a molecular weight of 318.21 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-ethylbenzamide is sourced from PubChem (CID 61400403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).