N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide

C14H12BrClN2O — CID 113274731

IUPACN-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide
SMILESO=C(NC(CBr)c1ccccc1)c1ccc(Cl)cn1
InChIInChI=1S/C14H12BrClN2O/c15-8-13(10-4-2-1-3-5-10)18-14(19)12-7-6-11(16)9-17-12/h1-7,9,13H,8H2,(H,18,19)
InChIKeyCRTUBUHEUZRDBL-UHFFFAOYSA-N
MW339.62 g/mol
LogP3.60
Rot. Bonds4

About N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide

N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide (PubChem CID 113274731) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide
PubChem CID113274731
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC NameN-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide
SMILESO=C(NC(CBr)c1ccccc1)c1ccc(Cl)cn1
InChIInChI=1S/C14H12BrClN2O/c15-8-13(10-4-2-1-3-5-10)18-14(19)12-7-6-11(16)9-17-12/h1-7,9,13H,8H2,(H,18,19)
InChIKeyCRTUBUHEUZRDBL-UHFFFAOYSA-N
XLogP3.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-1-phenylethyl)-2,4-dichlorobenzamide
CID 114311124
N-(2-chloro-1-phenylethyl)-5-fluoropyridine-2-carboxamide
CID 104643141
5-chloro-N-[phenyl(2H-tetrazol-5-yl)methyl]pyridine-2-carboxamide
CID 126816197
[(1R)-2-bromo-1-phenylethyl]carbamic acid
CID 146309654
N-(2-bromo-1-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 114311175
N-(2-bromo-1-phenylethyl)-5-chlorothiophene-2-carboxamide
CID 113274761
N-(2-bromo-1-phenylethyl)pyridine-3-carboxamide
CID 113274720
N-(2-bromo-1-phenylethyl)-4-chloro-2,5-difluorobenzamide
CID 82771671
N-(2-bromo-1-phenylethyl)-3-chloro-4-methylbenzamide
CID 114311152
N-(2-bromo-1-phenylethyl)-5-methylpyridine-3-carboxamide
CID 113274774
5-chloro-N-phenacylpyridine-2-carboxamide
CID 64991922
5-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 103920023

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide?
The IUPAC name of N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide (CID 113274731) is N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide is O=C(NC(CBr)c1ccccc1)c1ccc(Cl)cn1.
What is the InChIKey of N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide?
The InChIKey is CRTUBUHEUZRDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c15-8-13(10-4-2-1-3-5-10)18-14(19)12-7-6-11(16)9-17-12/h1-7,9,13H,8H2,(H,18,19).
What are the key properties of N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide?
N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide has a molecular weight of 339.62 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-1-phenylethyl)-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 113274731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).