methyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate

C19H17ClN2O4 — CID 55912733

IUPACmethyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate
SMILESCCOc1ccc2cc(C(=O)Nc3ccc(Cl)c(C(=O)OC)c3)[nH]c2c1
InChIInChI=1S/C19H17ClN2O4/c1-3-26-13-6-4-11-8-17(22-16(11)10-13)18(23)21-12-5-7-15(20)14(9-12)19(24)25-2/h4-10,22H,3H2,1-2H3,(H,21,23)
InChIKeyLFCWXYCMPAVXTN-UHFFFAOYSA-N
MW372.81 g/mol
LogP4.26
Rot. Bonds5

About methyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate

methyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate (PubChem CID 55912733) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is methyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate
PubChem CID55912733
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Namemethyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate
SMILESCCOc1ccc2cc(C(=O)Nc3ccc(Cl)c(C(=O)OC)c3)[nH]c2c1
InChIInChI=1S/C19H17ClN2O4/c1-3-26-13-6-4-11-8-17(22-16(11)10-13)18(23)21-12-5-7-15(20)14(9-12)19(24)25-2/h4-10,22H,3H2,1-2H3,(H,21,23)
InChIKeyLFCWXYCMPAVXTN-UHFFFAOYSA-N
XLogP4.26
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate with MolForge

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Related Compounds

6-ethoxy-N-[4-(ethylsulfonylamino)-3-methylphenyl]-1H-indole-2-carboxamide
CID 55947691
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962
N-(3-chloro-4-methoxyphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521484
methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
CID 134062049
N-[5-chloro-2-(dimethylamino)phenyl]-6-ethoxy-1H-indole-2-carboxamide
CID 56532153
N-[3-(1,3-dithiolan-2-yl)phenyl]-6-ethoxy-1H-indole-2-carboxamide
CID 55827003
6-ethoxy-N-[4-methyl-2-(methylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 146089109
N-[(E)-(4-ethoxyphenyl)methylideneamino]-6-methoxy-1H-indole-2-carboxamide
CID 6885107
ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515896
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 38429837
methyl 6-(methoxymethoxy)-1H-indole-2-carboxylate
CID 25148905
6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113207580

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate (CID 55912733) is methyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate is CCOc1ccc2cc(C(=O)Nc3ccc(Cl)c(C(=O)OC)c3)[nH]c2c1.
What is the InChIKey of methyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate?
The InChIKey is LFCWXYCMPAVXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-3-26-13-6-4-11-8-17(22-16(11)10-13)18(23)21-12-5-7-15(20)14(9-12)19(24)25-2/h4-10,22H,3H2,1-2H3,(H,21,23).
What are the key properties of methyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate?
methyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate has a molecular weight of 372.81 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[(6-ethoxy-1H-indole-2-carbonyl)amino]benzoate is sourced from PubChem (CID 55912733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).