(6-chloro-3-oxo-1H-indazol-2-yl) N-[(2-methylphenyl)methyl]carbamate

C16H14ClN3O3 — CID 68837592

IUPAC(6-chloro-3-oxo-1H-indazol-2-yl) N-[(2-methylphenyl)methyl]carbamate
SMILESCc1ccccc1CNC(=O)On1[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C16H14ClN3O3/c1-10-4-2-3-5-11(10)9-18-16(22)23-20-15(21)13-7-6-12(17)8-14(13)19-20/h2-8,19H,9H2,1H3,(H,18,22)
InChIKeyDTLNDUSIDJSZSX-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.63
Rot. Bonds3

About (6-chloro-3-oxo-1H-indazol-2-yl) N-[(2-methylphenyl)methyl]carbamate

(6-chloro-3-oxo-1H-indazol-2-yl) N-[(2-methylphenyl)methyl]carbamate (PubChem CID 68837592) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is (6-chloro-3-oxo-1H-indazol-2-yl) N-[(2-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Name(6-chloro-3-oxo-1H-indazol-2-yl) N-[(2-methylphenyl)methyl]carbamate
PubChem CID68837592
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC Name(6-chloro-3-oxo-1H-indazol-2-yl) N-[(2-methylphenyl)methyl]carbamate
SMILESCc1ccccc1CNC(=O)On1[nH]c2cc(Cl)ccc2c1=O
InChIInChI=1S/C16H14ClN3O3/c1-10-4-2-3-5-11(10)9-18-16(22)23-20-15(21)13-7-6-12(17)8-14(13)19-20/h2-8,19H,9H2,1H3,(H,18,22)
InChIKeyDTLNDUSIDJSZSX-UHFFFAOYSA-N
XLogP2.63
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-oxo-1H-indazol-2-yl) N-[(2-methylphenyl)methyl]carbamate?
The IUPAC name of (6-chloro-3-oxo-1H-indazol-2-yl) N-[(2-methylphenyl)methyl]carbamate (CID 68837592) is (6-chloro-3-oxo-1H-indazol-2-yl) N-[(2-methylphenyl)methyl]carbamate.
What is the SMILES notation for (6-chloro-3-oxo-1H-indazol-2-yl) N-[(2-methylphenyl)methyl]carbamate?
The canonical SMILES for (6-chloro-3-oxo-1H-indazol-2-yl) N-[(2-methylphenyl)methyl]carbamate is Cc1ccccc1CNC(=O)On1[nH]c2cc(Cl)ccc2c1=O.
What is the InChIKey of (6-chloro-3-oxo-1H-indazol-2-yl) N-[(2-methylphenyl)methyl]carbamate?
The InChIKey is DTLNDUSIDJSZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-10-4-2-3-5-11(10)9-18-16(22)23-20-15(21)13-7-6-12(17)8-14(13)19-20/h2-8,19H,9H2,1H3,(H,18,22).
What are the key properties of (6-chloro-3-oxo-1H-indazol-2-yl) N-[(2-methylphenyl)methyl]carbamate?
(6-chloro-3-oxo-1H-indazol-2-yl) N-[(2-methylphenyl)methyl]carbamate has a molecular weight of 331.76 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-oxo-1H-indazol-2-yl) N-[(2-methylphenyl)methyl]carbamate is sourced from PubChem (CID 68837592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).