6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide

C18H17ClN2O2 — CID 39499154

IUPAC6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C18H17ClN2O2/c1-11(2)23-17-6-4-3-5-14(17)21-18(22)16-9-12-7-8-13(19)10-15(12)20-16/h3-11,20H,1-2H3,(H,21,22)
InChIKeyFNWGLCOVIZQUBJ-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.86
Rot. Bonds4

About 6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide

6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide (PubChem CID 39499154) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
PubChem CID39499154
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C18H17ClN2O2/c1-11(2)23-17-6-4-3-5-14(17)21-18(22)16-9-12-7-8-13(19)10-15(12)20-16/h3-11,20H,1-2H3,(H,21,22)
InChIKeyFNWGLCOVIZQUBJ-UHFFFAOYSA-N
XLogP4.86
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113207580
methyl 2-[(6-chloro-1H-indole-2-carbonyl)amino]benzoate
CID 113207589
N-[2-(difluoromethoxy)phenyl]-1H-indole-2-carboxamide
CID 51145679
3,5-dichloro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151016
N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 9068762
N-(2-ethoxyphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207367
N-(4-bromophenyl)-6-chloro-1H-indole-2-carboxamide
CID 113207573
6-fluoro-N-(2-phenoxyphenyl)-1H-indole-2-carboxamide
CID 113207503
ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515896
N-(4-chloro-2-iodophenyl)-1H-indole-2-carboxamide
CID 103766830
6-bromo-N-(2-propoxyphenyl)-1H-indole-2-carboxamide
CID 55566139
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide (CID 39499154) is 6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide is CC(C)Oc1ccccc1NC(=O)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The InChIKey is FNWGLCOVIZQUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11(2)23-17-6-4-3-5-14(17)21-18(22)16-9-12-7-8-13(19)10-15(12)20-16/h3-11,20H,1-2H3,(H,21,22).
What are the key properties of 6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide has a molecular weight of 328.80 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 39499154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).