2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide

C16H9Cl3N4O2 — CID 21313128

IUPAC2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cnc2cc(Cl)ccc2n1
InChIInChI=1S/C16H9Cl3N4O2/c17-8-4-5-11-12(6-8)20-7-13(21-11)22-16(25)23-15(24)14-9(18)2-1-3-10(14)19/h1-7H,(H2,21,22,23,24,25)
InChIKeyQSVLONVGRLNASM-UHFFFAOYSA-N
MW395.63 g/mol
LogP4.55
Rot. Bonds2

About 2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide

2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide (PubChem CID 21313128) has the molecular formula C16H9Cl3N4O2 and a molecular weight of 395.63 g/mol. Its IUPAC name is 2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide
PubChem CID21313128
Molecular FormulaC16H9Cl3N4O2
Molecular Weight395.63 g/mol
Exact Mass393.98
IUPAC Name2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cnc2cc(Cl)ccc2n1
InChIInChI=1S/C16H9Cl3N4O2/c17-8-4-5-11-12(6-8)20-7-13(21-11)22-16(25)23-15(24)14-9(18)2-1-3-10(14)19/h1-7H,(H2,21,22,23,24,25)
InChIKeyQSVLONVGRLNASM-UHFFFAOYSA-N
XLogP4.55
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.63
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[(5-chloro-2-pyridinyl)carbamoyl]benzamide
CID 23345083
2,6-dichloro-N-[(5-chloropyrazin-2-yl)carbamoyl]benzamide
CID 21313073
N-[(5-tert-butylpyrazin-2-yl)carbamoyl]-2,6-dichlorobenzamide
CID 21313103
6-chloro-N-methylquinoxalin-2-amine
CID 119092444
2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide
CID 12912757
2,6-dichloro-N-[[5-(3,4-dichlorophenyl)sulfanyl-2-pyridinyl]carbamoyl]benzamide
CID 12912898
2,6-dichloro-N-[[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]carbamoyl]benzamide
CID 13242668
2,6-dichloro-N-[[6-[2-fluoro-5-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 57322394
2,6-dichloro-N-[[5-[3-chloro-5-(trifluoromethyl)phenoxy]-2-pyridinyl]carbamoyl]benzamide
CID 56980860
2-chloro-N-[[5-(4-chlorophenyl)-4,6-dimethyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide
CID 13242717
N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide
CID 19935023
2,6-dichloro-N-[(6-phenyl-3-pyridinyl)carbamoyl]benzamide
CID 13242737

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide (CID 21313128) is 2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide is O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cnc2cc(Cl)ccc2n1.
What is the InChIKey of 2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide?
The InChIKey is QSVLONVGRLNASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3N4O2/c17-8-4-5-11-12(6-8)20-7-13(21-11)22-16(25)23-15(24)14-9(18)2-1-3-10(14)19/h1-7H,(H2,21,22,23,24,25).
What are the key properties of 2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide?
2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide has a molecular weight of 395.63 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide is sourced from PubChem (CID 21313128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).