N-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide

C17H13BrFN3O — CID 112844431

IUPACN-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide
SMILESCC(NC(=O)c1cc(F)cc2nccnc12)c1ccc(Br)cc1
InChIInChI=1S/C17H13BrFN3O/c1-10(11-2-4-12(18)5-3-11)22-17(23)14-8-13(19)9-15-16(14)21-7-6-20-15/h2-10H,1H3,(H,22,23)
InChIKeyHSZCYNRZVFBKJE-UHFFFAOYSA-N
MW374.21 g/mol
LogP4.02
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide

N-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide (PubChem CID 112844431) has the molecular formula C17H13BrFN3O and a molecular weight of 374.21 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide
PubChem CID112844431
Molecular FormulaC17H13BrFN3O
Molecular Weight374.21 g/mol
Exact Mass373.02
IUPAC NameN-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide
SMILESCC(NC(=O)c1cc(F)cc2nccnc12)c1ccc(Br)cc1
InChIInChI=1S/C17H13BrFN3O/c1-10(11-2-4-12(18)5-3-11)22-17(23)14-8-13(19)9-15-16(14)21-7-6-20-15/h2-10H,1H3,(H,22,23)
InChIKeyHSZCYNRZVFBKJE-UHFFFAOYSA-N
XLogP4.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 134028939
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzamide
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N-[1-(4-bromophenyl)ethyl]-2-fluoro-5-methylbenzamide
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5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide
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5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
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N-[(1R)-1-(4-bromophenyl)ethyl]-2,6-difluorobenzamide
CID 26072462
N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 80718780
2,5-dibromo-N-[1-(4-fluorophenyl)ethyl]thiophene-3-carboxamide
CID 113237232
5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296055
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chloro-6-methylpyridine-3-carboxamide
CID 106832389
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CID 11192016

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide (CID 112844431) is N-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide is CC(NC(=O)c1cc(F)cc2nccnc12)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide?
The InChIKey is HSZCYNRZVFBKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O/c1-10(11-2-4-12(18)5-3-11)22-17(23)14-8-13(19)9-15-16(14)21-7-6-20-15/h2-10H,1H3,(H,22,23).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide?
N-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide has a molecular weight of 374.21 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-7-fluoroquinoxaline-5-carboxamide is sourced from PubChem (CID 112844431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).