1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-N-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide

C23H18Cl2F4N4O3 — CID 166482555

IUPAC1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-N-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESFc1ccc(Cl)cc1.O=C1Cn2c(C(=O)NCC(F)F)cc(NC(=O)c3cc(F)cc(Cl)c3)c2CN1
InChIInChI=1S/C17H14ClF3N4O3.C6H4ClF/c18-9-1-8(2-10(19)3-9)16(27)24-11-4-12(17(28)23-6-14(20)21)25-7-15(26)22-5-13(11)25;7-5-1-3-6(8)4-2-5/h1-4,14H,5-7H2,(H,22,26)(H,23,28)(H,24,27);1-4H
InChIKeyYJOGDOVHUCEWRQ-UHFFFAOYSA-N
MW545.32 g/mol
LogP4.64
Rot. Bonds5

About 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-N-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide

1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-N-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 166482555) has the molecular formula C23H18Cl2F4N4O3 and a molecular weight of 545.32 g/mol. Its IUPAC name is 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-N-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-N-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide
PubChem CID166482555
Molecular FormulaC23H18Cl2F4N4O3
Molecular Weight545.32 g/mol
Exact Mass544.07
IUPAC Name1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-N-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide
SMILESFc1ccc(Cl)cc1.O=C1Cn2c(C(=O)NCC(F)F)cc(NC(=O)c3cc(F)cc(Cl)c3)c2CN1
InChIInChI=1S/C17H14ClF3N4O3.C6H4ClF/c18-9-1-8(2-10(19)3-9)16(27)24-11-4-12(17(28)23-6-14(20)21)25-7-15(26)22-5-13(11)25;7-5-1-3-6(8)4-2-5/h1-4,14H,5-7H2,(H,22,26)(H,23,28)(H,24,27);1-4H
InChIKeyYJOGDOVHUCEWRQ-UHFFFAOYSA-N
XLogP4.64
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.32
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-N-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide with MolForge

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Related Compounds

1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-3-oxo-N-(pyridin-2-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 166482535
1-(2-chloro-5-fluorophenyl)-8-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-3-oxo-N-(pyridin-4-ylmethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 166482402
3-chloro-N-ethyl-5-fluorobenzamide
CID 125115811
3-chloro-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-5-fluorobenzamide
CID 125443294
1-(2-chloro-5-fluorophenyl)-8-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-N-[(4-methylmorpholin-2-yl)methyl]-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide
CID 166482616
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
4-chloro-2-[(4-fluorobenzoyl)amino]-N-propan-2-ylbenzamide
CID 24662064
2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid
CID 175668363
N-(2-bromo-4-fluorophenyl)-3,5-dichlorobenzamide
CID 28938547
3,5-dichloro-N-[2-(ethylcarbamoyl)phenyl]benzamide
CID 17133523
N-(2-acetamido-4,5-difluorophenyl)-3,5-difluorobenzamide
CID 51106132

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-N-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-N-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide (CID 166482555) is 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-N-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-N-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-N-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide is Fc1ccc(Cl)cc1.O=C1Cn2c(C(=O)NCC(F)F)cc(NC(=O)c3cc(F)cc(Cl)c3)c2CN1.
What is the InChIKey of 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-N-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is YJOGDOVHUCEWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O3.C6H4ClF/c18-9-1-8(2-10(19)3-9)16(27)24-11-4-12(17(28)23-6-14(20)21)25-7-15(26)22-5-13(11)25;7-5-1-3-6(8)4-2-5/h1-4,14H,5-7H2,(H,22,26)(H,23,28)(H,24,27);1-4H.
What are the key properties of 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-N-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide?
1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-N-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 545.32 g/mol, XLogP of 4.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-fluorobenzene;8-[(3-chloro-5-fluorobenzoyl)amino]-N-(2,2-difluoroethyl)-3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 166482555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).