N-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

C18H14ClN3O — CID 20953929

IUPACN-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C18H14ClN3O/c19-12-6-8-13(9-7-12)20-18(23)17-15-10-5-11-3-1-2-4-14(11)16(15)21-22-17/h1-4,6-9H,5,10H2,(H,20,23)(H,21,22)
InChIKeyLZZKUQMYTMPQCK-UHFFFAOYSA-N
MW323.78 g/mol
LogP4.08
Rot. Bonds2

About N-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide

N-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (PubChem CID 20953929) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
PubChem CID20953929
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC NameN-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1[nH]nc2c1CCc1ccccc1-2
InChIInChI=1S/C18H14ClN3O/c19-12-6-8-13(9-7-12)20-18(23)17-15-10-5-11-3-1-2-4-14(11)16(15)21-22-17/h1-4,6-9H,5,10H2,(H,20,23)(H,21,22)
InChIKeyLZZKUQMYTMPQCK-UHFFFAOYSA-N
XLogP4.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-1,2,4-triazol-5-yl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 71827942
N-(3-nitrophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 46343897
N-[(2-fluorophenyl)methyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954009
N-[(2-fluorophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 761334
N-[2-(dimethylamino)ethyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953939
N-[(4-fluorophenyl)methylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 696865
N-[(E)-4-(methylamino)-4-oxobut-2-enyl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 122246984
N-(4-acetylphenyl)-7-methoxy-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20954114
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 90486461
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 44721881
N-[(E)-anthracen-9-ylmethylideneamino]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 6900050
N-[(3R)-1,1-dioxothiolan-3-yl]-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 97265661

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide (CID 20953929) is N-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is O=C(Nc1ccc(Cl)cc1)c1[nH]nc2c1CCc1ccccc1-2.
What is the InChIKey of N-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
The InChIKey is LZZKUQMYTMPQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c19-12-6-8-13(9-7-12)20-18(23)17-15-10-5-11-3-1-2-4-14(11)16(15)21-22-17/h1-4,6-9H,5,10H2,(H,20,23)(H,21,22).
What are the key properties of N-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide?
N-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide has a molecular weight of 323.78 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide is sourced from PubChem (CID 20953929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).