6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide

C14H12BrClN2O — CID 66463293

IUPAC6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Br)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12BrClN2O/c1-9(10-2-5-12(16)6-3-10)18-14(19)11-4-7-13(15)17-8-11/h2-9H,1H3,(H,18,19)
InChIKeyNDKARPPBYCDWNB-UHFFFAOYSA-N
MW339.62 g/mol
LogP3.99
Rot. Bonds3

About 6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide

6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 66463293) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID66463293
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Br)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12BrClN2O/c1-9(10-2-5-12(16)6-3-10)18-14(19)11-4-7-13(15)17-8-11/h2-9H,1H3,(H,18,19)
InChIKeyNDKARPPBYCDWNB-UHFFFAOYSA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 53.99
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

6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide
CID 114416382
N-[1-(6-bromo-3-pyridinyl)ethyl]pyridine-4-carboxamide
CID 140582807
N-[1-(4-bromophenyl)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 47097753
N-[1-(4-bromophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 47124570
4-bromo-N-[1-(4-chlorophenyl)ethyl]-3-fluorobenzamide
CID 63524750
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
6-bromo-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 66462490
3-bromo-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751551
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide (CID 66463293) is 6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1ccc(Br)nc1)c1ccc(Cl)cc1.
What is the InChIKey of 6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is NDKARPPBYCDWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-9(10-2-5-12(16)6-3-10)18-14(19)11-4-7-13(15)17-8-11/h2-9H,1H3,(H,18,19).
What are the key properties of 6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide?
6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 339.62 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 66463293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).