6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide

C18H17ClN2O2 — CID 113207580

IUPAC6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C18H17ClN2O2/c1-11(2)23-15-7-5-14(6-8-15)20-18(22)17-9-12-3-4-13(19)10-16(12)21-17/h3-11,21H,1-2H3,(H,20,22)
InChIKeyGXVNIIKRNALMMC-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.86
Rot. Bonds4

About 6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide

6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide (PubChem CID 113207580) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
PubChem CID113207580
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C18H17ClN2O2/c1-11(2)23-15-7-5-14(6-8-15)20-18(22)17-9-12-3-4-13(19)10-16(12)21-17/h3-11,21H,1-2H3,(H,20,22)
InChIKeyGXVNIIKRNALMMC-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

N-(4-bromophenyl)-6-chloro-1H-indole-2-carboxamide
CID 113207573
6-chloro-N-(2-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 39499154
ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515896
6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 113207612
N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloro-1H-indole-2-carboxamide
CID 31862421
5-chloro-N-[4-(1-hydroxyethyl)phenyl]-1H-indole-2-carboxamide
CID 10448389
5-chloro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 134002786
methyl 4-[(6-methoxy-1H-indole-2-carbonyl)amino]benzoate
CID 134062049
6-(difluoromethoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 166382846
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962
6-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-indole-2-carboxamide
CID 55842402

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide (CID 113207580) is 6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide is CC(C)Oc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
The InChIKey is GXVNIIKRNALMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11(2)23-15-7-5-14(6-8-15)20-18(22)17-9-12-3-4-13(19)10-16(12)21-17/h3-11,21H,1-2H3,(H,20,22).
What are the key properties of 6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide?
6-chloro-N-(4-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-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 113207580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).