(3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide

C16H19ClN2O2 — CID 124852403

IUPAC(3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide
SMILESCc1[nH]c2ccc(Cl)cc2c1CCNC(=O)[C@@H]1CCOC1
InChIInChI=1S/C16H19ClN2O2/c1-10-13(14-8-12(17)2-3-15(14)19-10)4-6-18-16(20)11-5-7-21-9-11/h2-3,8,11,19H,4-7,9H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyUSGDWENMTQZLAW-LLVKDONJSA-N
MW306.79 g/mol
LogP2.82
Rot. Bonds4

About (3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide

(3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide (PubChem CID 124852403) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is (3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide
PubChem CID124852403
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name(3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide
SMILESCc1[nH]c2ccc(Cl)cc2c1CCNC(=O)[C@@H]1CCOC1
InChIInChI=1S/C16H19ClN2O2/c1-10-13(14-8-12(17)2-3-15(14)19-10)4-6-18-16(20)11-5-7-21-9-11/h2-3,8,11,19H,4-7,9H2,1H3,(H,18,20)/t11-/m1/s1
InChIKeyUSGDWENMTQZLAW-LLVKDONJSA-N
XLogP2.82
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxane-4-carboxamide
CID 113086044
(1S,3R,4R)-3-amino-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide
CID 155498993
acetic acid;(1S,3R,4R)-4-amino-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-hydroxycyclohexane-1-carboxamide
CID 155971564
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 113085985
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113086180
4-bromo-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086005
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 91833579
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137
1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-cyclohexylthiourea
CID 43952994
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 113086011
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide
CID 113086047
1-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 119063925

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide (CID 124852403) is (3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide is Cc1[nH]c2ccc(Cl)cc2c1CCNC(=O)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is USGDWENMTQZLAW-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-10-13(14-8-12(17)2-3-15(14)19-10)4-6-18-16(20)11-5-7-21-9-11/h2-3,8,11,19H,4-7,9H2,1H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide?
(3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 306.79 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 124852403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).