[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate

C18H16ClN3O3 — CID 9288001

IUPAC[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCN(Cc1cccc(Cl)c1)C(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H16ClN3O3/c1-22(10-12-5-4-6-13(19)9-12)16(23)11-25-18(24)17-14-7-2-3-8-15(14)20-21-17/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyFARMTMKTRZEPAP-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.03
Rot. Bonds5

About [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate

[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 9288001) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID9288001
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCN(Cc1cccc(Cl)c1)C(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H16ClN3O3/c1-22(10-12-5-4-6-13(19)9-12)16(23)11-25-18(24)17-14-7-2-3-8-15(14)20-21-17/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyFARMTMKTRZEPAP-UHFFFAOYSA-N
XLogP3.03
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 16525603
[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785207
[2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534560
[2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288074
(4-chlorophenyl)methyl 1H-indazole-3-carboxylate
CID 2534607
[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288047
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 55397822
[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288144
[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 2-acetamido-3-methylbenzoate
CID 18169997
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7372528
[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 25350599
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2390297

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate (CID 9288001) is [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate is CN(Cc1cccc(Cl)c1)C(=O)COC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is FARMTMKTRZEPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-22(10-12-5-4-6-13(19)9-12)16(23)11-25-18(24)17-14-7-2-3-8-15(14)20-21-17/h2-9H,10-11H2,1H3,(H,20,21).
What are the key properties of [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 357.80 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 9288001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).