ethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate

C20H19ClN2O4 — CID 112833767

IUPACethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C(=O)NCc3cc(Cl)ccc3OC)ccc2[nH]1
InChIInChI=1S/C20H19ClN2O4/c1-3-27-20(25)17-10-13-8-12(4-6-16(13)23-17)19(24)22-11-14-9-15(21)5-7-18(14)26-2/h4-10,23H,3,11H2,1-2H3,(H,22,24)
InChIKeyANGCORJEIWXOCB-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.94
Rot. Bonds6

About ethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate

ethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate (PubChem CID 112833767) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is ethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate
PubChem CID112833767
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Nameethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C(=O)NCc3cc(Cl)ccc3OC)ccc2[nH]1
InChIInChI=1S/C20H19ClN2O4/c1-3-27-20(25)17-10-13-8-12(4-6-16(13)23-17)19(24)22-11-14-9-15(21)5-7-18(14)26-2/h4-10,23H,3,11H2,1-2H3,(H,22,24)
InChIKeyANGCORJEIWXOCB-UHFFFAOYSA-N
XLogP3.94
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110793489
ethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate
CID 35439173
methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate
CID 46559753
N-[(5-chloro-2-methoxyphenyl)methyl]-4-methylsulfinylbenzamide
CID 167835973
methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate
CID 129094981
N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide
CID 997399
ethyl 5-(3-methylbutanoyl)-1H-indole-2-carboxylate
CID 68719600
N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 34866358
ethyl 3-[(5-chloro-1H-indole-2-carbonyl)amino]pentanoate
CID 141106091
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229
N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 110787720

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate (CID 112833767) is ethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(C(=O)NCc3cc(Cl)ccc3OC)ccc2[nH]1.
What is the InChIKey of ethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate?
The InChIKey is ANGCORJEIWXOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-3-27-20(25)17-10-13-8-12(4-6-16(13)23-17)19(24)22-11-14-9-15(21)5-7-18(14)26-2/h4-10,23H,3,11H2,1-2H3,(H,22,24).
What are the key properties of ethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate?
ethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate has a molecular weight of 386.84 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 112833767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).