N-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide

C20H17Cl2N3O — CID 23938464

IUPACN-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccccc1-c1n[nH]c2c1CCCC2
InChIInChI=1S/C20H17Cl2N3O/c21-15-9-5-11-17(18(15)22)23-20(26)13-7-2-1-6-12(13)19-14-8-3-4-10-16(14)24-25-19/h1-2,5-7,9,11H,3-4,8,10H2,(H,23,26)(H,24,25)
InChIKeyLGABCPUQYZDDIA-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.51
Rot. Bonds3

About N-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide

N-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide (PubChem CID 23938464) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
PubChem CID23938464
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC NameN-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccccc1-c1n[nH]c2c1CCCC2
InChIInChI=1S/C20H17Cl2N3O/c21-15-9-5-11-17(18(15)22)23-20(26)13-7-2-1-6-12(13)19-14-8-3-4-10-16(14)24-25-19/h1-2,5-7,9,11H,3-4,8,10H2,(H,23,26)(H,24,25)
InChIKeyLGABCPUQYZDDIA-UHFFFAOYSA-N
XLogP5.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxyphenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 23935930
N-(2-hydroxyethyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 23855057
N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110420482
N-(1-adamantyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 23819300
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide
CID 2291853
N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide
CID 23934303
N-(2,3-dichlorophenyl)-2-iodobenzamide
CID 1043515
(1S,6R)-6-[[2-[(2,3-dichlorophenyl)carbamoyl]phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6975293
N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 162647842
N-(2,3-dichlorophenyl)-1H-indole-3-carboxamide
CID 43399264
N-(5-chloroquinolin-2-yl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 167818575
N-(2-bromophenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388942

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide (CID 23938464) is N-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide is O=C(Nc1cccc(Cl)c1Cl)c1ccccc1-c1n[nH]c2c1CCCC2.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide?
The InChIKey is LGABCPUQYZDDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c21-15-9-5-11-17(18(15)22)23-20(26)13-7-2-1-6-12(13)19-14-8-3-4-10-16(14)24-25-19/h1-2,5-7,9,11H,3-4,8,10H2,(H,23,26)(H,24,25).
What are the key properties of N-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide?
N-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide has a molecular weight of 386.28 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)benzamide is sourced from PubChem (CID 23938464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).