N-(4-bromo-2-pyridinyl)-4-phenylbutanamide

C15H15BrN2O — CID 102674174

IUPACN-(4-bromo-2-pyridinyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1cc(Br)ccn1
InChIInChI=1S/C15H15BrN2O/c16-13-9-10-17-14(11-13)18-15(19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,17,18,19)
InChIKeyMSQSYMGGIWJOAV-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.81
Rot. Bonds5

About N-(4-bromo-2-pyridinyl)-4-phenylbutanamide

N-(4-bromo-2-pyridinyl)-4-phenylbutanamide (PubChem CID 102674174) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-4-phenylbutanamide
PubChem CID102674174
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-(4-bromo-2-pyridinyl)-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1cc(Br)ccn1
InChIInChI=1S/C15H15BrN2O/c16-13-9-10-17-14(11-13)18-15(19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,17,18,19)
InChIKeyMSQSYMGGIWJOAV-UHFFFAOYSA-N
XLogP3.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2-pyridinyl)-4-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(4-bromo-2-pyridinyl)butanamide;ethane
CID 177218315
(E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide
CID 102820533
4-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)butanamide
CID 47245712
N-(4-bromo-2-pyridinyl)furan-2-carboxamide
CID 102674239
N-(6-bromo-4-oxo-3,1-benzothiazin-2-yl)-4-phenylbutanamide
CID 71681053
4-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)butanamide
CID 90544865
4-phenyl-N-(2,4,6-trimethyl-3-pyridinyl)butanamide
CID 78883201
N-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide
CID 115274084
1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887175
N-(5-amino-2-bromo-4-methylphenyl)-4-phenylbutanamide
CID 104814385
N-[(5-bromo-2-fluorophenyl)methyl]-4-phenylbutanamide
CID 46485276
2-(3-bromophenyl)-N-(4-chloro-2-pyridinyl)acetamide
CID 115627297

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-4-phenylbutanamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-4-phenylbutanamide (CID 102674174) is N-(4-bromo-2-pyridinyl)-4-phenylbutanamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-4-phenylbutanamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1cc(Br)ccn1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-4-phenylbutanamide?
The InChIKey is MSQSYMGGIWJOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c16-13-9-10-17-14(11-13)18-15(19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8H2,(H,17,18,19).
What are the key properties of N-(4-bromo-2-pyridinyl)-4-phenylbutanamide?
N-(4-bromo-2-pyridinyl)-4-phenylbutanamide has a molecular weight of 319.20 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-4-phenylbutanamide is sourced from PubChem (CID 102674174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).