7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide

C13H15ClN2O2 — CID 158352187

IUPAC7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCOc1ccc(Cl)c2[nH]c(C(=O)NC(C)C)cc12
InChIInChI=1S/C13H15ClN2O2/c1-7(2)15-13(17)10-6-8-11(18-3)5-4-9(14)12(8)16-10/h4-7,16H,1-3H3,(H,15,17)
InChIKeyLIILRMNMJYNSKK-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.97
Rot. Bonds3

About 7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide

7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 158352187) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
PubChem CID158352187
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCOc1ccc(Cl)c2[nH]c(C(=O)NC(C)C)cc12
InChIInChI=1S/C13H15ClN2O2/c1-7(2)15-13(17)10-6-8-11(18-3)5-4-9(14)12(8)16-10/h4-7,16H,1-3H3,(H,15,17)
InChIKeyLIILRMNMJYNSKK-UHFFFAOYSA-N
XLogP2.97
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
(6-methoxy-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 4905344
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
N-(2-chlorophenyl)-5-methoxy-1H-indole-2-carboxamide
CID 2742886
N-butyl-5-methoxy-1H-indole-2-carboxamide
CID 2742895
(4-ethylpiperazin-1-yl)(6-methoxy-1H-indol-2-yl)methanone
CID 4905025
N-benzyl-6-methoxy-N-methyl-1H-indole-2-carboxamide
CID 4905426
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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide (CID 158352187) is 7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide is COc1ccc(Cl)c2[nH]c(C(=O)NC(C)C)cc12.
What is the InChIKey of 7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide?
The InChIKey is LIILRMNMJYNSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-7(2)15-13(17)10-6-8-11(18-3)5-4-9(14)12(8)16-10/h4-7,16H,1-3H3,(H,15,17).
What are the key properties of 7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide?
7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 158352187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).