N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide

C15H14BrClN2O — CID 55716947

IUPACN-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C15H14BrClN2O/c1-10(8-11-2-4-12(16)5-3-11)19-15(20)14-9-13(17)6-7-18-14/h2-7,9-10H,8H2,1H3,(H,19,20)
InChIKeyXLZMIOFETQWNJE-UHFFFAOYSA-N
MW353.65 g/mol
LogP3.86
Rot. Bonds4

About N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide

N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide (PubChem CID 55716947) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide
PubChem CID55716947
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C15H14BrClN2O/c1-10(8-11-2-4-12(16)5-3-11)19-15(20)14-9-13(17)6-7-18-14/h2-7,9-10H,8H2,1H3,(H,19,20)
InChIKeyXLZMIOFETQWNJE-UHFFFAOYSA-N
XLogP3.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
CID 62953884
4-chloro-N-pentan-2-ylpyridine-2-carboxamide
CID 43087437
N-[1-(4-bromophenyl)propan-2-yl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625854
N-[1-(4-bromophenyl)propan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 47210931
N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide
CID 46820321
4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 47210992
N-[1-(4-bromophenyl)propan-2-yl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55717161
[(2S)-1-(4-chloro-2-pyridinyl)-1-oxopropan-2-yl]carbamic acid
CID 68589066
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide
CID 51948817
2-amino-4-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzamide
CID 79705015
4-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 47161139

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide (CID 55716947) is N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide is CC(Cc1ccc(Br)cc1)NC(=O)c1cc(Cl)ccn1.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide?
The InChIKey is XLZMIOFETQWNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-10(8-11-2-4-12(16)5-3-11)19-15(20)14-9-13(17)6-7-18-14/h2-7,9-10H,8H2,1H3,(H,19,20).
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide?
N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide has a molecular weight of 353.65 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide is sourced from PubChem (CID 55716947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).