N-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide

C15H14BrFN2O — CID 115274084

IUPACN-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide
SMILESO=C(CCCc1cccc(F)c1)Nc1ccc(Br)cn1
InChIInChI=1S/C15H14BrFN2O/c16-12-7-8-14(18-10-12)19-15(20)6-2-4-11-3-1-5-13(17)9-11/h1,3,5,7-10H,2,4,6H2,(H,18,19,20)
InChIKeyRMFLZTSAQWGJBQ-UHFFFAOYSA-N
MW337.19 g/mol
LogP3.94
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide

N-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide (PubChem CID 115274084) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide
PubChem CID115274084
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide
SMILESO=C(CCCc1cccc(F)c1)Nc1ccc(Br)cn1
InChIInChI=1S/C15H14BrFN2O/c16-12-7-8-14(18-10-12)19-15(20)6-2-4-11-3-1-5-13(17)9-11/h1,3,5,7-10H,2,4,6H2,(H,18,19,20)
InChIKeyRMFLZTSAQWGJBQ-UHFFFAOYSA-N
XLogP3.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide
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N-(2-acetamido-5-bromophenyl)-3-(3-fluorophenyl)propanamide
CID 60621107
4-(3-fluorophenyl)butanoyloxidanium
CID 160822973
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
N-(4-bromo-2-pyridinyl)-4-phenylbutanamide
CID 102674174
N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide
CID 112729128
2-(3-fluorophenyl)-N-[5-(prop-2-enylamino)-2-pyridinyl]acetamide
CID 113023879
1-(5-bromo-2-pyridinyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867750
N-(5-bromo-2-pyridinyl)-3-phenoxypropanamide
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CID 113031460

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide (CID 115274084) is N-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide is O=C(CCCc1cccc(F)c1)Nc1ccc(Br)cn1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide?
The InChIKey is RMFLZTSAQWGJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c16-12-7-8-14(18-10-12)19-15(20)6-2-4-11-3-1-5-13(17)9-11/h1,3,5,7-10H,2,4,6H2,(H,18,19,20).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide?
N-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide has a molecular weight of 337.19 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide is sourced from PubChem (CID 115274084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).