5-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(2-methoxyethyl)indole-2-carboxamide

C19H25ClN2O3 — CID 97264912

IUPAC5-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(2-methoxyethyl)indole-2-carboxamide
SMILESCOCCn1c(C(=O)N[C@H]2CCOC(C)(C)C2)cc2cc(Cl)ccc21
InChIInChI=1S/C19H25ClN2O3/c1-19(2)12-15(6-8-25-19)21-18(23)17-11-13-10-14(20)4-5-16(13)22(17)7-9-24-3/h4-5,10-11,15H,6-9,12H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyYOIPTTHAQJHFLZ-HNNXBMFYSA-N
MW364.87 g/mol
LogP3.63
Rot. Bonds5

About 5-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(2-methoxyethyl)indole-2-carboxamide

5-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(2-methoxyethyl)indole-2-carboxamide (PubChem CID 97264912) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 5-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(2-methoxyethyl)indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(2-methoxyethyl)indole-2-carboxamide
PubChem CID97264912
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name5-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(2-methoxyethyl)indole-2-carboxamide
SMILESCOCCn1c(C(=O)N[C@H]2CCOC(C)(C)C2)cc2cc(Cl)ccc21
InChIInChI=1S/C19H25ClN2O3/c1-19(2)12-15(6-8-25-19)21-18(23)17-11-13-10-14(20)4-5-16(13)22(17)7-9-24-3/h4-5,10-11,15H,6-9,12H2,1-3H3,(H,21,23)/t15-/m0/s1
InChIKeyYOIPTTHAQJHFLZ-HNNXBMFYSA-N
XLogP3.63
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(2-methoxyethyl)indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(2-methoxyethyl)indole-2-carboxamide (CID 97264912) is 5-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(2-methoxyethyl)indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(2-methoxyethyl)indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(2-methoxyethyl)indole-2-carboxamide is COCCn1c(C(=O)N[C@H]2CCOC(C)(C)C2)cc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(2-methoxyethyl)indole-2-carboxamide?
The InChIKey is YOIPTTHAQJHFLZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c1-19(2)12-15(6-8-25-19)21-18(23)17-11-13-10-14(20)4-5-16(13)22(17)7-9-24-3/h4-5,10-11,15H,6-9,12H2,1-3H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 5-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(2-methoxyethyl)indole-2-carboxamide?
5-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(2-methoxyethyl)indole-2-carboxamide has a molecular weight of 364.87 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4S)-2,2-dimethyloxan-4-yl]-1-(2-methoxyethyl)indole-2-carboxamide is sourced from PubChem (CID 97264912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).