(2S)-2-(4-chlorophenyl)-2-[(6,7-difluoroquinoxalin-2-yl)amino]acetamide

C16H11ClF2N4O — CID 95776041

IUPAC(2S)-2-(4-chlorophenyl)-2-[(6,7-difluoroquinoxalin-2-yl)amino]acetamide
SMILESNC(=O)[C@@H](Nc1cnc2cc(F)c(F)cc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF2N4O/c17-9-3-1-8(2-4-9)15(16(20)24)23-14-7-21-12-5-10(18)11(19)6-13(12)22-14/h1-7,15H,(H2,20,24)(H,22,23)/t15-/m0/s1
InChIKeyMIQBUPJIIGIBJR-HNNXBMFYSA-N
MW348.74 g/mol
LogP3.20
Rot. Bonds4

About (2S)-2-(4-chlorophenyl)-2-[(6,7-difluoroquinoxalin-2-yl)amino]acetamide

(2S)-2-(4-chlorophenyl)-2-[(6,7-difluoroquinoxalin-2-yl)amino]acetamide (PubChem CID 95776041) has the molecular formula C16H11ClF2N4O and a molecular weight of 348.74 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-2-[(6,7-difluoroquinoxalin-2-yl)amino]acetamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-2-[(6,7-difluoroquinoxalin-2-yl)amino]acetamide
PubChem CID95776041
Molecular FormulaC16H11ClF2N4O
Molecular Weight348.74 g/mol
Exact Mass348.06
IUPAC Name(2S)-2-(4-chlorophenyl)-2-[(6,7-difluoroquinoxalin-2-yl)amino]acetamide
SMILESNC(=O)[C@@H](Nc1cnc2cc(F)c(F)cc2n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H11ClF2N4O/c17-9-3-1-8(2-4-9)15(16(20)24)23-14-7-21-12-5-10(18)11(19)6-13(12)22-14/h1-7,15H,(H2,20,24)(H,22,23)/t15-/m0/s1
InChIKeyMIQBUPJIIGIBJR-HNNXBMFYSA-N
XLogP3.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.74
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6,7-dichloroquinoxalin-2-yl)amino]-2-(4-fluorophenyl)acetamide
CID 133476267
2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide
CID 90041202
2-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide
CID 133476266
2-(3-bromoanilino)-2-(4-chlorophenyl)acetamide
CID 54891742
2-[[5-(3-chloro-4-fluorophenyl)-3-pyridinyl]amino]-2-phenylacetamide
CID 73330922
2-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)acetamide
CID 81146886
2-(4-chloroanilino)-2-(6-methoxy-3-pyridinyl)acetamide
CID 114937350
N-[1-(4-chlorophenyl)ethyl]quinoxalin-2-amine
CID 60716470
2-[(2-benzylpyrimidin-4-yl)amino]-2-(4-fluorophenyl)acetamide
CID 133476327
2-[(7-chloroquinazolin-4-yl)amino]-2-phenylacetamide
CID 86920499
2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)acetamide
CID 61005627
2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-fluorophenyl)acetamide
CID 81146753

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-2-[(6,7-difluoroquinoxalin-2-yl)amino]acetamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-2-[(6,7-difluoroquinoxalin-2-yl)amino]acetamide (CID 95776041) is (2S)-2-(4-chlorophenyl)-2-[(6,7-difluoroquinoxalin-2-yl)amino]acetamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-2-[(6,7-difluoroquinoxalin-2-yl)amino]acetamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-2-[(6,7-difluoroquinoxalin-2-yl)amino]acetamide is NC(=O)[C@@H](Nc1cnc2cc(F)c(F)cc2n1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-2-[(6,7-difluoroquinoxalin-2-yl)amino]acetamide?
The InChIKey is MIQBUPJIIGIBJR-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H11ClF2N4O/c17-9-3-1-8(2-4-9)15(16(20)24)23-14-7-21-12-5-10(18)11(19)6-13(12)22-14/h1-7,15H,(H2,20,24)(H,22,23)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-2-[(6,7-difluoroquinoxalin-2-yl)amino]acetamide?
(2S)-2-(4-chlorophenyl)-2-[(6,7-difluoroquinoxalin-2-yl)amino]acetamide has a molecular weight of 348.74 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-2-[(6,7-difluoroquinoxalin-2-yl)amino]acetamide is sourced from PubChem (CID 95776041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).