N-(1-benzyl-2-pyridinylidene)-2-(4-bromophenyl)acetamide

C20H17BrN2O — CID 60584756

IUPACN-(1-benzyl-2-pyridinylidene)-2-(4-bromophenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)/N=c1\ccccn1Cc1ccccc1
InChIInChI=1S/C20H17BrN2O/c21-18-11-9-16(10-12-18)14-20(24)22-19-8-4-5-13-23(19)15-17-6-2-1-3-7-17/h1-13H,14-15H2/b22-19+
InChIKeyFCBWMESKICILNO-ZBJSNUHESA-N
MW381.27 g/mol
LogP3.97
Rot. Bonds4

About N-(1-benzyl-2-pyridinylidene)-2-(4-bromophenyl)acetamide

N-(1-benzyl-2-pyridinylidene)-2-(4-bromophenyl)acetamide (PubChem CID 60584756) has the molecular formula C20H17BrN2O and a molecular weight of 381.27 g/mol. Its IUPAC name is N-(1-benzyl-2-pyridinylidene)-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzyl-2-pyridinylidene)-2-(4-bromophenyl)acetamide
PubChem CID60584756
Molecular FormulaC20H17BrN2O
Molecular Weight381.27 g/mol
Exact Mass380.05
IUPAC NameN-(1-benzyl-2-pyridinylidene)-2-(4-bromophenyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)/N=c1\ccccn1Cc1ccccc1
InChIInChI=1S/C20H17BrN2O/c21-18-11-9-16(10-12-18)14-20(24)22-19-8-4-5-13-23(19)15-17-6-2-1-3-7-17/h1-13H,14-15H2/b22-19+
InChIKeyFCBWMESKICILNO-ZBJSNUHESA-N
XLogP3.97
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-pyridinylidene)-2-(4-bromophenyl)acetamide?
The IUPAC name of N-(1-benzyl-2-pyridinylidene)-2-(4-bromophenyl)acetamide (CID 60584756) is N-(1-benzyl-2-pyridinylidene)-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-(1-benzyl-2-pyridinylidene)-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-(1-benzyl-2-pyridinylidene)-2-(4-bromophenyl)acetamide is O=C(Cc1ccc(Br)cc1)/N=c1\ccccn1Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-2-pyridinylidene)-2-(4-bromophenyl)acetamide?
The InChIKey is FCBWMESKICILNO-ZBJSNUHESA-N. The full InChI is InChI=1S/C20H17BrN2O/c21-18-11-9-16(10-12-18)14-20(24)22-19-8-4-5-13-23(19)15-17-6-2-1-3-7-17/h1-13H,14-15H2/b22-19+.
What are the key properties of N-(1-benzyl-2-pyridinylidene)-2-(4-bromophenyl)acetamide?
N-(1-benzyl-2-pyridinylidene)-2-(4-bromophenyl)acetamide has a molecular weight of 381.27 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-pyridinylidene)-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 60584756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).