N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide

C15H15BrN2O — CID 110389230

IUPACN-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide
SMILESCc1ccc(NC(=O)CCc2ccccn2)cc1Br
InChIInChI=1S/C15H15BrN2O/c1-11-5-6-13(10-14(11)16)18-15(19)8-7-12-4-2-3-9-17-12/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyHDJFBYFSKFEPFA-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.72
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide

N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide (PubChem CID 110389230) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide
PubChem CID110389230
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide
SMILESCc1ccc(NC(=O)CCc2ccccn2)cc1Br
InChIInChI=1S/C15H15BrN2O/c1-11-5-6-13(10-14(11)16)18-15(19)8-7-12-4-2-3-9-17-12/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyHDJFBYFSKFEPFA-UHFFFAOYSA-N
XLogP3.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide
CID 110679078
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-3-pyridin-2-ylpropanamide
CID 60599848
N-(3-bromo-4-methylphenyl)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330318
N-(4-hydroxyphenyl)-3-pyridin-2-ylpropanamide
CID 80743821
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-pyridin-2-ylpropanamide
CID 60599784
3-pyridin-2-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 47468107
N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-3-pyridin-2-ylpropanamide
CID 60610354
N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 81466595
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190
2-fluoro-4-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 107526552
N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283148
N-(3-bromo-4-methylphenyl)-3-(2-methylanilino)propanamide
CID 109034087

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide (CID 110389230) is N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide is Cc1ccc(NC(=O)CCc2ccccn2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide?
The InChIKey is HDJFBYFSKFEPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-11-5-6-13(10-14(11)16)18-15(19)8-7-12-4-2-3-9-17-12/h2-6,9-10H,7-8H2,1H3,(H,18,19).
What are the key properties of N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide?
N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide has a molecular weight of 319.20 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 110389230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).