1-[(2-chloro-4-nitrobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide

C19H14ClN5O4 — CID 22291663

IUPAC1-[(2-chloro-4-nitrobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2c1CCc1ccccc1-2
InChIInChI=1S/C19H14ClN5O4/c20-15-9-11(25(28)29)6-8-13(15)19(27)23-24-17-12-4-2-1-3-10(12)5-7-14(17)16(22-24)18(21)26/h1-4,6,8-9H,5,7H2,(H2,21,26)(H,23,27)
InChIKeyKGFYJKYFJRJOFA-UHFFFAOYSA-N
MW411.81 g/mol
LogP2.69
Rot. Bonds4

About 1-[(2-chloro-4-nitrobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide

1-[(2-chloro-4-nitrobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide (PubChem CID 22291663) has the molecular formula C19H14ClN5O4 and a molecular weight of 411.81 g/mol. Its IUPAC name is 1-[(2-chloro-4-nitrobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-4-nitrobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
PubChem CID22291663
Molecular FormulaC19H14ClN5O4
Molecular Weight411.81 g/mol
Exact Mass411.07
IUPAC Name1-[(2-chloro-4-nitrobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
SMILESNC(=O)c1nn(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2c1CCc1ccccc1-2
InChIInChI=1S/C19H14ClN5O4/c20-15-9-11(25(28)29)6-8-13(15)19(27)23-24-17-12-4-2-1-3-10(12)5-7-14(17)16(22-24)18(21)26/h1-4,6,8-9H,5,7H2,(H2,21,26)(H,23,27)
InChIKeyKGFYJKYFJRJOFA-UHFFFAOYSA-N
XLogP2.69
TPSA133.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.81
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexanecarbonylamino)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291434
N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide
CID 819437
benzamido 2-chloro-4-nitrobenzoate
CID 59855635
2-chloro-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
CID 60576133
2-chloro-N-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-4-nitrobenzamide
CID 23854977
2-chloro-4-nitro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2468990
2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide
CID 11239298
N-[2-(carbamoylamino)ethyl]-2-chloro-4-nitrobenzamide
CID 78993882
8-[(2-chlorobenzoyl)amino]-1-(4-pyrrol-1-ylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
CID 22291802
N-(2-acetylphenyl)-2-chloro-4-nitrobenzamide
CID 8749599
8-amino-1-(4-methylsulfonylphenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide;3-methyl-1-(4-methylsulfonylphenyl)-8-nitro-4,5-dihydrobenzo[g]indazole
CID 157411105
3-nitro-9,10-dihydrophenanthrene
CID 614448

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-nitrobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The IUPAC name of 1-[(2-chloro-4-nitrobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide (CID 22291663) is 1-[(2-chloro-4-nitrobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide.
What is the SMILES notation for 1-[(2-chloro-4-nitrobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The canonical SMILES for 1-[(2-chloro-4-nitrobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide is NC(=O)c1nn(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2c1CCc1ccccc1-2.
What is the InChIKey of 1-[(2-chloro-4-nitrobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
The InChIKey is KGFYJKYFJRJOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O4/c20-15-9-11(25(28)29)6-8-13(15)19(27)23-24-17-12-4-2-1-3-10(12)5-7-14(17)16(22-24)18(21)26/h1-4,6,8-9H,5,7H2,(H2,21,26)(H,23,27).
What are the key properties of 1-[(2-chloro-4-nitrobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide?
1-[(2-chloro-4-nitrobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide has a molecular weight of 411.81 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-nitrobenzoyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide is sourced from PubChem (CID 22291663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).