7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide

C14H15ClN2O3 — CID 156607520

IUPAC7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC2COCC2O)cc2cccc(Cl)c21
InChIInChI=1S/C14H15ClN2O3/c1-17-11(5-8-3-2-4-9(15)13(8)17)14(19)16-10-6-20-7-12(10)18/h2-5,10,12,18H,6-7H2,1H3,(H,16,19)
InChIKeyXKLSFVCJCJRRNU-UHFFFAOYSA-N
MW294.74 g/mol
LogP1.32
Rot. Bonds2

About 7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide

7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide (PubChem CID 156607520) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide
PubChem CID156607520
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC2COCC2O)cc2cccc(Cl)c21
InChIInChI=1S/C14H15ClN2O3/c1-17-11(5-8-3-2-4-9(15)13(8)17)14(19)16-10-6-20-7-12(10)18/h2-5,10,12,18H,6-7H2,1H3,(H,16,19)
InChIKeyXKLSFVCJCJRRNU-UHFFFAOYSA-N
XLogP1.32
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-methylindole-2-carboxamide
CID 133268385
7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide
CID 110847862
1-methyl-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]indole-2-carboxamide
CID 91841039
(7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849758
7-bromo-N-cyclobutyl-1-methylindole-2-carboxamide
CID 171662965
2-[4-(7-chloro-1-methylindole-2-carbonyl)morpholin-3-yl]acetic acid
CID 56902551
7-chloro-N,N-diethyl-1-methylindole-2-carboxamide
CID 110855125
7-(7-chloro-1-methylindole-2-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 119062772
7-chloro-1-methyl-N-[1-(3-methyl-2-pyridinyl)ethyl]indole-2-carboxamide
CID 121498155
N-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide
CID 110852739
ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate
CID 110853989
8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid
CID 115042327

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide?
The IUPAC name of 7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide (CID 156607520) is 7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide?
The canonical SMILES for 7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide is Cn1c(C(=O)NC2COCC2O)cc2cccc(Cl)c21.
What is the InChIKey of 7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide?
The InChIKey is XKLSFVCJCJRRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-17-11(5-8-3-2-4-9(15)13(8)17)14(19)16-10-6-20-7-12(10)18/h2-5,10,12,18H,6-7H2,1H3,(H,16,19).
What are the key properties of 7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide?
7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-hydroxyoxolan-3-yl)-1-methylindole-2-carboxamide is sourced from PubChem (CID 156607520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).