7-chloro-N-methyl-N-[4-methyl-5-(methylamino)-5-oxopent-1-en-2-yl]-5,6-dihydro-1H-indole-2-carboxamide

C17H22ClN3O2 — CID 166475928

IUPAC7-chloro-N-methyl-N-[4-methyl-5-(methylamino)-5-oxopent-1-en-2-yl]-5,6-dihydro-1H-indole-2-carboxamide
SMILESC=C(CC(C)C(=O)NC)N(C)C(=O)c1cc2c([nH]1)=C(Cl)CCC=2
InChIInChI=1S/C17H22ClN3O2/c1-10(16(22)19-3)8-11(2)21(4)17(23)14-9-12-6-5-7-13(18)15(12)20-14/h6,9-10,20H,2,5,7-8H2,1,3-4H3,(H,19,22)
InChIKeyRVIWLAABBINDIL-UHFFFAOYSA-N
MW335.84 g/mol
LogP1.29
Rot. Bonds5

About 7-chloro-N-methyl-N-[4-methyl-5-(methylamino)-5-oxopent-1-en-2-yl]-5,6-dihydro-1H-indole-2-carboxamide

7-chloro-N-methyl-N-[4-methyl-5-(methylamino)-5-oxopent-1-en-2-yl]-5,6-dihydro-1H-indole-2-carboxamide (PubChem CID 166475928) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 7-chloro-N-methyl-N-[4-methyl-5-(methylamino)-5-oxopent-1-en-2-yl]-5,6-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-methyl-N-[4-methyl-5-(methylamino)-5-oxopent-1-en-2-yl]-5,6-dihydro-1H-indole-2-carboxamide
PubChem CID166475928
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name7-chloro-N-methyl-N-[4-methyl-5-(methylamino)-5-oxopent-1-en-2-yl]-5,6-dihydro-1H-indole-2-carboxamide
SMILESC=C(CC(C)C(=O)NC)N(C)C(=O)c1cc2c([nH]1)=C(Cl)CCC=2
InChIInChI=1S/C17H22ClN3O2/c1-10(16(22)19-3)8-11(2)21(4)17(23)14-9-12-6-5-7-13(18)15(12)20-14/h6,9-10,20H,2,5,7-8H2,1,3-4H3,(H,19,22)
InChIKeyRVIWLAABBINDIL-UHFFFAOYSA-N
XLogP1.29
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 70805275
CID 70805275
CID 144935857
CID 144935857
CID 168507798
CID 168507798

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methyl-N-[4-methyl-5-(methylamino)-5-oxopent-1-en-2-yl]-5,6-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-methyl-N-[4-methyl-5-(methylamino)-5-oxopent-1-en-2-yl]-5,6-dihydro-1H-indole-2-carboxamide (CID 166475928) is 7-chloro-N-methyl-N-[4-methyl-5-(methylamino)-5-oxopent-1-en-2-yl]-5,6-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-methyl-N-[4-methyl-5-(methylamino)-5-oxopent-1-en-2-yl]-5,6-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-methyl-N-[4-methyl-5-(methylamino)-5-oxopent-1-en-2-yl]-5,6-dihydro-1H-indole-2-carboxamide is C=C(CC(C)C(=O)NC)N(C)C(=O)c1cc2c([nH]1)=C(Cl)CCC=2.
What is the InChIKey of 7-chloro-N-methyl-N-[4-methyl-5-(methylamino)-5-oxopent-1-en-2-yl]-5,6-dihydro-1H-indole-2-carboxamide?
The InChIKey is RVIWLAABBINDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-10(16(22)19-3)8-11(2)21(4)17(23)14-9-12-6-5-7-13(18)15(12)20-14/h6,9-10,20H,2,5,7-8H2,1,3-4H3,(H,19,22).
What are the key properties of 7-chloro-N-methyl-N-[4-methyl-5-(methylamino)-5-oxopent-1-en-2-yl]-5,6-dihydro-1H-indole-2-carboxamide?
7-chloro-N-methyl-N-[4-methyl-5-(methylamino)-5-oxopent-1-en-2-yl]-5,6-dihydro-1H-indole-2-carboxamide has a molecular weight of 335.84 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methyl-N-[4-methyl-5-(methylamino)-5-oxopent-1-en-2-yl]-5,6-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 166475928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).