N-benzyl-2-(4-bromophenyl)-N-pyridin-2-ylacetamide

C20H17BrN2O — CID 1124075

IUPACN-benzyl-2-(4-bromophenyl)-N-pyridin-2-ylacetamide
SMILESO=C(Cc1ccc(Br)cc1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C20H17BrN2O/c21-18-11-9-16(10-12-18)14-20(24)23(19-8-4-5-13-22-19)15-17-6-2-1-3-7-17/h1-13H,14-15H2
InChIKeyFKMQQPDSXZFIME-UHFFFAOYSA-N
MW381.27 g/mol
LogP4.62
Rot. Bonds5

About N-benzyl-2-(4-bromophenyl)-N-pyridin-2-ylacetamide

N-benzyl-2-(4-bromophenyl)-N-pyridin-2-ylacetamide (PubChem CID 1124075) has the molecular formula C20H17BrN2O and a molecular weight of 381.27 g/mol. Its IUPAC name is N-benzyl-2-(4-bromophenyl)-N-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-bromophenyl)-N-pyridin-2-ylacetamide
PubChem CID1124075
Molecular FormulaC20H17BrN2O
Molecular Weight381.27 g/mol
Exact Mass380.05
IUPAC NameN-benzyl-2-(4-bromophenyl)-N-pyridin-2-ylacetamide
SMILESO=C(Cc1ccc(Br)cc1)N(Cc1ccccc1)c1ccccn1
InChIInChI=1S/C20H17BrN2O/c21-18-11-9-16(10-12-18)14-20(24)23(19-8-4-5-13-22-19)15-17-6-2-1-3-7-17/h1-13H,14-15H2
InChIKeyFKMQQPDSXZFIME-UHFFFAOYSA-N
XLogP4.62
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-bromophenyl)-N-pyridin-2-ylacetamide?
The IUPAC name of N-benzyl-2-(4-bromophenyl)-N-pyridin-2-ylacetamide (CID 1124075) is N-benzyl-2-(4-bromophenyl)-N-pyridin-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-(4-bromophenyl)-N-pyridin-2-ylacetamide?
The canonical SMILES for N-benzyl-2-(4-bromophenyl)-N-pyridin-2-ylacetamide is O=C(Cc1ccc(Br)cc1)N(Cc1ccccc1)c1ccccn1.
What is the InChIKey of N-benzyl-2-(4-bromophenyl)-N-pyridin-2-ylacetamide?
The InChIKey is FKMQQPDSXZFIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O/c21-18-11-9-16(10-12-18)14-20(24)23(19-8-4-5-13-22-19)15-17-6-2-1-3-7-17/h1-13H,14-15H2.
What are the key properties of N-benzyl-2-(4-bromophenyl)-N-pyridin-2-ylacetamide?
N-benzyl-2-(4-bromophenyl)-N-pyridin-2-ylacetamide has a molecular weight of 381.27 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-bromophenyl)-N-pyridin-2-ylacetamide is sourced from PubChem (CID 1124075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).