N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide

C14H13BrClN3O — CID 106550859

IUPACN-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide
SMILESCCC(NC(=O)c1cncc(Cl)n1)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrClN3O/c1-2-11(9-3-5-10(15)6-4-9)19-14(20)12-7-17-8-13(16)18-12/h3-8,11H,2H2,1H3,(H,19,20)
InChIKeyXZTFJHHWWLDDGR-UHFFFAOYSA-N
MW354.64 g/mol
LogP3.77
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide

N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide (PubChem CID 106550859) has the molecular formula C14H13BrClN3O and a molecular weight of 354.64 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide
PubChem CID106550859
Molecular FormulaC14H13BrClN3O
Molecular Weight354.64 g/mol
Exact Mass352.99
IUPAC NameN-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide
SMILESCCC(NC(=O)c1cncc(Cl)n1)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrClN3O/c1-2-11(9-3-5-10(15)6-4-9)19-14(20)12-7-17-8-13(16)18-12/h3-8,11H,2H2,1H3,(H,19,20)
InChIKeyXZTFJHHWWLDDGR-UHFFFAOYSA-N
XLogP3.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)propyl]-6-chloropyridazine-3-carboxamide
CID 61041098
N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide
CID 66484299
N-[1-(4-bromophenyl)propyl]-4-chloropyridine-3-carboxamide
CID 81226484
N-[(1R)-1-(4-bromophenyl)propyl]-5-methylpyrazine-2-carboxamide
CID 26177836
2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide
CID 62787341
N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide
CID 17399690
3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
N-[1-(4-bromophenyl)propyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 81229401
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide
CID 60674486
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471
1-benzyl-N-[1-(4-bromophenyl)propyl]-6-oxopyridazine-3-carboxamide
CID 42907397

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide (CID 106550859) is N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide is CCC(NC(=O)c1cncc(Cl)n1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide?
The InChIKey is XZTFJHHWWLDDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O/c1-2-11(9-3-5-10(15)6-4-9)19-14(20)12-7-17-8-13(16)18-12/h3-8,11H,2H2,1H3,(H,19,20).
What are the key properties of N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide?
N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide has a molecular weight of 354.64 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 106550859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).