N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide

C14H11BrCl2N2O — CID 47097753

IUPACN-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
SMILESCC(NC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrCl2N2O/c1-8(9-2-4-11(15)5-3-9)19-14(20)10-6-12(16)13(17)18-7-10/h2-8H,1H3,(H,19,20)
InChIKeyIAUYBKGUPJGPGR-UHFFFAOYSA-N
MW374.07 g/mol
LogP4.64
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide

N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide (PubChem CID 47097753) has the molecular formula C14H11BrCl2N2O and a molecular weight of 374.07 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
PubChem CID47097753
Molecular FormulaC14H11BrCl2N2O
Molecular Weight374.07 g/mol
Exact Mass371.94
IUPAC NameN-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
SMILESCC(NC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrCl2N2O/c1-8(9-2-4-11(15)5-3-9)19-14(20)10-6-12(16)13(17)18-7-10/h2-8H,1H3,(H,19,20)
InChIKeyIAUYBKGUPJGPGR-UHFFFAOYSA-N
XLogP4.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.07
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5,6-dichloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 47162672
5,6-dichloro-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]pyridine-3-carboxamide
CID 7999529
5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 61040655
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
N-[1-(4-bromophenyl)ethyl]-3-chloro-4-hydroxybenzamide
CID 47097730
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 66463293
N-[1-(4-bromophenyl)ethyl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 47059465
5,6-dichloro-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 43399464
5,6-dichloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612580
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 106832389
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 81359194

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide (CID 47097753) is N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide is CC(NC(=O)c1cnc(Cl)c(Cl)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide?
The InChIKey is IAUYBKGUPJGPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2O/c1-8(9-2-4-11(15)5-3-9)19-14(20)10-6-12(16)13(17)18-7-10/h2-8H,1H3,(H,19,20).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide?
N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide has a molecular weight of 374.07 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 47097753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).