6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide

C13H15ClN2O2 — CID 109388491

IUPAC6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
SMILESCC(CO)N(C)C(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C13H15ClN2O2/c1-8(7-17)16(2)13(18)12-5-9-3-4-10(14)6-11(9)15-12/h3-6,8,15,17H,7H2,1-2H3
InChIKeyDIDKGUUDAPDWNS-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.27
Rot. Bonds3

About 6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide

6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide (PubChem CID 109388491) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
PubChem CID109388491
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
SMILESCC(CO)N(C)C(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C13H15ClN2O2/c1-8(7-17)16(2)13(18)12-5-9-3-4-10(14)6-11(9)15-12/h3-6,8,15,17H,7H2,1-2H3
InChIKeyDIDKGUUDAPDWNS-UHFFFAOYSA-N
XLogP2.27
TPSA56.33 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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-[2-[(6-chloro-1H-indole-2-carbonyl)-methylamino]ethyl]-N-methyl-1H-indole-2-carboxamide
CID 112843310
6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide
CID 111695370
N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide
CID 47169296
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
4-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
CID 109388525
4-chloro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115765131
5-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-3-phenyl-1H-indole-2-carboxamide
CID 56882195
2-[methyl-(6-methyl-1H-indole-2-carbonyl)amino]propanoic acid
CID 110835819
3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid
CID 75417841
6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 86768422
N-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 43420535
6-chloro-2-propan-2-yl-1H-indole;ethane
CID 176573496

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide (CID 109388491) is 6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide is CC(CO)N(C)C(=O)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide?
The InChIKey is DIDKGUUDAPDWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8(7-17)16(2)13(18)12-5-9-3-4-10(14)6-11(9)15-12/h3-6,8,15,17H,7H2,1-2H3.
What are the key properties of 6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide?
6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 109388491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).