6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide

C14H17ClN2O2 — CID 111695370

IUPAC6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide
SMILESCC(O)CCN(C)C(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C14H17ClN2O2/c1-9(18)5-6-17(2)14(19)13-7-10-3-4-11(15)8-12(10)16-13/h3-4,7-9,16,18H,5-6H2,1-2H3
InChIKeyOFYDAONXZWLHEQ-UHFFFAOYSA-N
MW280.76 g/mol
LogP2.66
Rot. Bonds4

About 6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide

6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide (PubChem CID 111695370) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide
PubChem CID111695370
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide
SMILESCC(O)CCN(C)C(=O)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C14H17ClN2O2/c1-9(18)5-6-17(2)14(19)13-7-10-3-4-11(15)8-12(10)16-13/h3-4,7-9,16,18H,5-6H2,1-2H3
InChIKeyOFYDAONXZWLHEQ-UHFFFAOYSA-N
XLogP2.66
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 52.66
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
N-butyl-6-chloro-N-methyl-1H-indole-2-carboxamide
CID 47169296
6-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-1H-indole-2-carboxamide
CID 109388491
6-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-1H-indole-2-carboxamide
CID 86930386
6-chloro-N-ethyl-1H-indole-2-carboxamide
CID 47172452
4-chloro-N-(3-hydroxybutyl)-N-methyl-2-nitrobenzamide
CID 111695702
4-chloro-2-ethoxy-N-(3-hydroxybutyl)-N-methylbenzamide
CID 110007455
5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide
CID 111542931
6-chloro-N-methyl-N-[[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]-1H-indole-2-carboxamide
CID 100630533
6-chloro-N-methyl-N-(1,3-thiazol-2-yl)-1H-indole-2-carboxamide
CID 86768422
N,N-dimethyl-6-propan-2-yl-1H-indole-2-carboxamide
CID 47186797
3-bromo-5-chloro-N-(3-hydroxybutyl)-N-methylbenzamide
CID 103827200

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide (CID 111695370) is 6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide is CC(O)CCN(C)C(=O)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide?
The InChIKey is OFYDAONXZWLHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9(18)5-6-17(2)14(19)13-7-10-3-4-11(15)8-12(10)16-13/h3-4,7-9,16,18H,5-6H2,1-2H3.
What are the key properties of 6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide?
6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide has a molecular weight of 280.76 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-hydroxybutyl)-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 111695370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).