2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide

C16H13BrN2O — CID 46591143

IUPAC2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide
SMILESN#Cc1ccc(CNC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H13BrN2O/c17-15-7-5-12(6-8-15)9-16(20)19-11-14-3-1-13(10-18)2-4-14/h1-8H,9,11H2,(H,19,20)
InChIKeyMFEFJHDBBWLICU-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.18
Rot. Bonds4

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

2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide (PubChem CID 46591143) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide
PubChem CID46591143
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide
SMILESN#Cc1ccc(CNC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C16H13BrN2O/c17-15-7-5-12(6-8-15)9-16(20)19-11-14-3-1-13(10-18)2-4-14/h1-8H,9,11H2,(H,19,20)
InChIKeyMFEFJHDBBWLICU-UHFFFAOYSA-N
XLogP3.18
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 62403486
2-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]acetamide
CID 46587399
[2-[(4-bromophenyl)methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 71820622
N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide
CID 107233703
2-amino-N-[(4-cyanophenyl)methyl]acetamide
CID 60919000
4-bromo-N-[(4-cyanophenyl)methyl]-2-hydroxybenzamide
CID 47466194
N-[(4-cyanophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 46587432
methyl 2-[4-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]phenoxy]acetate
CID 54458917
N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide
CID 60918337
N-[(4-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78948071
2-(4-cyanophenyl)-N-(furan-2-ylmethyl)acetamide
CID 62404887
N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 110483851

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide (CID 46591143) is 2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide is N#Cc1ccc(CNC(=O)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide?
The InChIKey is MFEFJHDBBWLICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-15-7-5-12(6-8-15)9-16(20)19-11-14-3-1-13(10-18)2-4-14/h1-8H,9,11H2,(H,19,20).
What are the key properties of 2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide?
2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide has a molecular weight of 329.20 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(4-cyanophenyl)methyl]acetamide is sourced from PubChem (CID 46591143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).