7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-yl-1H-indole-2-carboxamide

C17H23ClN2O4 — CID 162479545

IUPAC7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCOCCOCCOc1ccc(Cl)c2[nH]c(C(=O)NC(C)C)cc12
InChIInChI=1S/C17H23ClN2O4/c1-11(2)19-17(21)14-10-12-15(5-4-13(18)16(12)20-14)24-9-8-23-7-6-22-3/h4-5,10-11,20H,6-9H2,1-3H3,(H,19,21)
InChIKeyLXZMFHWJNAUATQ-UHFFFAOYSA-N
MW354.83 g/mol
LogP3.00
Rot. Bonds9

About 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-yl-1H-indole-2-carboxamide

7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 162479545) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-yl-1H-indole-2-carboxamide
PubChem CID162479545
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCOCCOCCOc1ccc(Cl)c2[nH]c(C(=O)NC(C)C)cc12
InChIInChI=1S/C17H23ClN2O4/c1-11(2)19-17(21)14-10-12-15(5-4-13(18)16(12)20-14)24-9-8-23-7-6-22-3/h4-5,10-11,20H,6-9H2,1-3H3,(H,19,21)
InChIKeyLXZMFHWJNAUATQ-UHFFFAOYSA-N
XLogP3.00
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]-1H-indole-2-carboxamide
CID 90936717
N-((1S)-1-(((1S)-1-Cyano-2-((3S)-2-oxopyrrolidin-3-YL)ethyl)carbamoyl)-3-methyl-butyl)-4-methoxy-1H-indole-2-carboxamide
CID 156907357
5-chloranyl-6-fluoranyl-3-(2-propan-2-yloxyphenyl)-1~{H}-indole-2-carboxamide
CID 154585763
5-chloranyl-6-fluoranyl-3-(4-piperazin-1-yl-2-propan-2-yloxy-phenyl)-1~{H}-indole-2-carboxamide
CID 154585764
N-[(2S)-1-[[(2S)-5-(dimethylamino)-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
CID 91001503
1-(4-benzoylpiperazin-1-yl)-2-(7-chloro-4-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506247
4-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-indole-2-carboxamide
CID 4912552
N-[4-(diethylamino)phenyl]-4-methoxy-1H-indole-2-carboxamide
CID 4971710
4-methoxy-N-(tetrahydrofuran-2-ylmethyl)-1H-indole-2-carboxamide
CID 4974998
1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-3-chloro-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]propyl]amino]carbonyl]-3-methylbutyl]-4-methoxy-(9CI)
CID 91020656
(6S)-1,6-dibenzyl-4-[4-(cyclopropylmethoxy)-1H-indole-2-carbonyl]piperazin-2-one
CID 122600588
(6S)-1,6-dibenzyl-4-(4-propan-2-yloxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600589

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-yl-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-yl-1H-indole-2-carboxamide (CID 162479545) is 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-yl-1H-indole-2-carboxamide is COCCOCCOc1ccc(Cl)c2[nH]c(C(=O)NC(C)C)cc12.
What is the InChIKey of 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-yl-1H-indole-2-carboxamide?
The InChIKey is LXZMFHWJNAUATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c1-11(2)19-17(21)14-10-12-15(5-4-13(18)16(12)20-14)24-9-8-23-7-6-22-3/h4-5,10-11,20H,6-9H2,1-3H3,(H,19,21).
What are the key properties of 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-yl-1H-indole-2-carboxamide?
7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 354.83 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 162479545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).