8-[(2-chlorobenzoyl)amino]-1-(2,4-difluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

C25H17ClF2N4O2 — CID 10116604

IUPAC8-[(2-chlorobenzoyl)amino]-1-(2,4-difluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCc1ccc(NC(=O)c3ccccc3Cl)cc1-2
InChIInChI=1S/C25H17ClF2N4O2/c26-19-4-2-1-3-16(19)25(34)30-15-8-5-13-6-9-17-22(24(29)33)31-32(23(17)18(13)12-15)21-10-7-14(27)11-20(21)28/h1-5,7-8,10-12H,6,9H2,(H2,29,33)(H,30,34)
InChIKeyCCPDEFSYWXOOAX-UHFFFAOYSA-N
MW478.89 g/mol
LogP4.92
Rot. Bonds4

About 8-[(2-chlorobenzoyl)amino]-1-(2,4-difluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide

8-[(2-chlorobenzoyl)amino]-1-(2,4-difluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 10116604) has the molecular formula C25H17ClF2N4O2 and a molecular weight of 478.89 g/mol. Its IUPAC name is 8-[(2-chlorobenzoyl)amino]-1-(2,4-difluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-[(2-chlorobenzoyl)amino]-1-(2,4-difluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID10116604
Molecular FormulaC25H17ClF2N4O2
Molecular Weight478.89 g/mol
Exact Mass478.10
IUPAC Name8-[(2-chlorobenzoyl)amino]-1-(2,4-difluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCc1ccc(NC(=O)c3ccccc3Cl)cc1-2
InChIInChI=1S/C25H17ClF2N4O2/c26-19-4-2-1-3-16(19)25(34)30-15-8-5-13-6-9-17-22(24(29)33)31-32(23(17)18(13)12-15)21-10-7-14(27)11-20(21)28/h1-5,7-8,10-12H,6,9H2,(H2,29,33)(H,30,34)
InChIKeyCCPDEFSYWXOOAX-UHFFFAOYSA-N
XLogP4.92
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.89
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-chlorobenzoyl)amino]-1-(2,4-difluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-[(2-chlorobenzoyl)amino]-1-(2,4-difluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 10116604) is 8-[(2-chlorobenzoyl)amino]-1-(2,4-difluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-[(2-chlorobenzoyl)amino]-1-(2,4-difluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-[(2-chlorobenzoyl)amino]-1-(2,4-difluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc(F)cc2F)c2c1CCc1ccc(NC(=O)c3ccccc3Cl)cc1-2.
What is the InChIKey of 8-[(2-chlorobenzoyl)amino]-1-(2,4-difluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is CCPDEFSYWXOOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF2N4O2/c26-19-4-2-1-3-16(19)25(34)30-15-8-5-13-6-9-17-22(24(29)33)31-32(23(17)18(13)12-15)21-10-7-14(27)11-20(21)28/h1-5,7-8,10-12H,6,9H2,(H2,29,33)(H,30,34).
What are the key properties of 8-[(2-chlorobenzoyl)amino]-1-(2,4-difluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-[(2-chlorobenzoyl)amino]-1-(2,4-difluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 478.89 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chlorobenzoyl)amino]-1-(2,4-difluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 10116604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).