methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate

C16H12ClN3O3 — CID 34163636

IUPACmethyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cccc3cn[nH]c23)ccc1Cl
InChIInChI=1S/C16H12ClN3O3/c1-23-16(22)12-7-10(5-6-13(12)17)19-15(21)11-4-2-3-9-8-18-20-14(9)11/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyZFXTWCSBYKFPKQ-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.26
Rot. Bonds3

About methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate

methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate (PubChem CID 34163636) has the molecular formula C16H12ClN3O3 and a molecular weight of 329.74 g/mol. Its IUPAC name is methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate
PubChem CID34163636
Molecular FormulaC16H12ClN3O3
Molecular Weight329.74 g/mol
Exact Mass329.06
IUPAC Namemethyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate
SMILESCOC(=O)c1cc(NC(=O)c2cccc3cn[nH]c23)ccc1Cl
InChIInChI=1S/C16H12ClN3O3/c1-23-16(22)12-7-10(5-6-13(12)17)19-15(21)11-4-2-3-9-8-18-20-14(9)11/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyZFXTWCSBYKFPKQ-UHFFFAOYSA-N
XLogP3.26
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-1H-indazole-7-carboxamide
CID 43048604
N-(3,5-dimethoxyphenyl)-1H-indazole-7-carboxamide
CID 36765506
N-[3-(methoxymethyl)phenyl]-1H-indazole-7-carboxamide
CID 32639414
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-1H-indazole-7-carboxamide
CID 32520598
methyl 3-(1H-indazole-7-carbonylamino)-4-methylbenzoate
CID 43048612
methyl 2-chloro-5-[(2-iodobenzoyl)amino]benzoate
CID 1312112
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1H-indazole-7-carboxamide
CID 24677220
N-[3-(diethylcarbamoyl)phenyl]-1H-indazole-7-carboxamide
CID 43052510
N-(2,4-dimethoxyphenyl)-1H-indazole-7-carboxamide
CID 36805049
(E)-3-[4-(1H-indazole-7-carbonylamino)phenyl]prop-2-enoic acid
CID 84583335
methyl 2-chloro-5-[[2-(4-fluorobenzoyl)benzoyl]amino]benzoate
CID 34164218
N-[2-(3-ethylanilino)-2-oxoethyl]-1H-indazole-7-carboxamide
CID 75418768

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate?
The IUPAC name of methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate (CID 34163636) is methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate.
What is the SMILES notation for methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate?
The canonical SMILES for methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate is COC(=O)c1cc(NC(=O)c2cccc3cn[nH]c23)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate?
The InChIKey is ZFXTWCSBYKFPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O3/c1-23-16(22)12-7-10(5-6-13(12)17)19-15(21)11-4-2-3-9-8-18-20-14(9)11/h2-8H,1H3,(H,18,20)(H,19,21).
What are the key properties of methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate?
methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate has a molecular weight of 329.74 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate is sourced from PubChem (CID 34163636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).