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

C25H20ClN5O3 — CID 22291694

IUPAC8-[(5-amino-2-chlorobenzoyl)amino]-1-(4-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(O)cc2)c2c1CCc1ccc(NC(=O)c3cc(N)ccc3Cl)cc1-2
InChIInChI=1S/C25H20ClN5O3/c26-21-10-3-14(27)11-20(21)25(34)29-15-4-1-13-2-9-18-22(24(28)33)30-31(23(18)19(13)12-15)16-5-7-17(32)8-6-16/h1,3-8,10-12,32H,2,9,27H2,(H2,28,33)(H,29,34)
InChIKeyONACAMJPIPNTHR-UHFFFAOYSA-N
MW473.92 g/mol
LogP3.93
Rot. Bonds4

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

8-[(5-amino-2-chlorobenzoyl)amino]-1-(4-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 22291694) has the molecular formula C25H20ClN5O3 and a molecular weight of 473.92 g/mol. Its IUPAC name is 8-[(5-amino-2-chlorobenzoyl)amino]-1-(4-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name8-[(5-amino-2-chlorobenzoyl)amino]-1-(4-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID22291694
Molecular FormulaC25H20ClN5O3
Molecular Weight473.92 g/mol
Exact Mass473.13
IUPAC Name8-[(5-amino-2-chlorobenzoyl)amino]-1-(4-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ccc(O)cc2)c2c1CCc1ccc(NC(=O)c3cc(N)ccc3Cl)cc1-2
InChIInChI=1S/C25H20ClN5O3/c26-21-10-3-14(27)11-20(21)25(34)29-15-4-1-13-2-9-18-22(24(28)33)30-31(23(18)19(13)12-15)16-5-7-17(32)8-6-16/h1,3-8,10-12,32H,2,9,27H2,(H2,28,33)(H,29,34)
InChIKeyONACAMJPIPNTHR-UHFFFAOYSA-N
XLogP3.93
TPSA136.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.92
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-hydroxyphenyl)-4-methylpyrazole-3-carboxamide
CID 70685551
8-[(2-Chlorobenzoyl)amino]-1-(3-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10115525
8-[(2-Chlorobenzoyl)amino]-1-(2,4-difluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10116604
1-(4-Fluorophenyl)-8-[(3-hydroxy-2-methylbenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10161432
8-[(5-Amino-2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10162572
8-[(2-Chloro-4-methoxybenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10163479
8-[(2-Chlorobenzoyl)amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10226516
8-[(2-Chlorobenzoyl)amino]-1-(3,4-difluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 10299381
8-[(2-Chlorobenzoyl)amino]-1-[4-[3-(dimethylamino)propoxy]phenyl]-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 18438737
8-[(5-Amino-2-chlorobenzoyl)amino]-1-(1,3-benzodioxol-5-yl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291443
1-[4-(3-Aminophenyl)phenyl]-8-[(2-chlorobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291450
4-[4-[3-Carbamoyl-8-[(2-chlorobenzoyl)amino]-4,5-dihydrobenzo[g]indazol-1-yl]phenyl]benzoic acid
CID 22291460

Frequently Asked Questions

What is the IUPAC name of 8-[(5-amino-2-chlorobenzoyl)amino]-1-(4-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 8-[(5-amino-2-chlorobenzoyl)amino]-1-(4-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 22291694) is 8-[(5-amino-2-chlorobenzoyl)amino]-1-(4-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 8-[(5-amino-2-chlorobenzoyl)amino]-1-(4-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 8-[(5-amino-2-chlorobenzoyl)amino]-1-(4-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is NC(=O)c1nn(-c2ccc(O)cc2)c2c1CCc1ccc(NC(=O)c3cc(N)ccc3Cl)cc1-2.
What is the InChIKey of 8-[(5-amino-2-chlorobenzoyl)amino]-1-(4-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is ONACAMJPIPNTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O3/c26-21-10-3-14(27)11-20(21)25(34)29-15-4-1-13-2-9-18-22(24(28)33)30-31(23(18)19(13)12-15)16-5-7-17(32)8-6-16/h1,3-8,10-12,32H,2,9,27H2,(H2,28,33)(H,29,34).
What are the key properties of 8-[(5-amino-2-chlorobenzoyl)amino]-1-(4-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide?
8-[(5-amino-2-chlorobenzoyl)amino]-1-(4-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 473.92 g/mol, XLogP of 3.93, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-amino-2-chlorobenzoyl)amino]-1-(4-hydroxyphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 22291694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).