7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide

C13H15ClN2O2 — CID 108791722

IUPAC7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide
SMILESCCC(CO)NC(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C13H15ClN2O2/c1-2-9(7-17)15-13(18)11-6-8-4-3-5-10(14)12(8)16-11/h3-6,9,16-17H,2,7H2,1H3,(H,15,18)
InChIKeyMLJUFJPLOOSTFW-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.32
Rot. Bonds4

About 7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide

7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide (PubChem CID 108791722) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide
PubChem CID108791722
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide
SMILESCCC(CO)NC(=O)c1cc2cccc(Cl)c2[nH]1
InChIInChI=1S/C13H15ClN2O2/c1-2-9(7-17)15-13(18)11-6-8-4-3-5-10(14)12(8)16-11/h3-6,9,16-17H,2,7H2,1H3,(H,15,18)
InChIKeyMLJUFJPLOOSTFW-UHFFFAOYSA-N
XLogP2.32
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-1H-indole-2-carbohydrazide
CID 13466352
7-amino-N-(1,3-dihydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 65309948
7-chloro-N-(2-methylpropyl)-1H-indole-2-carboxamide
CID 110848308
7-chloro-N-(2,6-diethylphenyl)-1H-indole-2-carboxamide
CID 108791658
7-chloro-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 108804029
7-chloro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
CID 108804079
7-chloro-N-[2-(2-hydroxyethoxy)ethyl]-1H-indole-2-carboxamide
CID 108791704
7-chloro-N-[(4-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 108791679
N-butan-2-yl-7-methoxy-1H-indole-2-carboxamide
CID 110848409
2-chloro-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920045
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-7-chloro-1H-indole-2-carboxamide
CID 108804038
7-chloro-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1H-indole-2-carboxamide
CID 108791657

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide (CID 108791722) is 7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide is CCC(CO)NC(=O)c1cc2cccc(Cl)c2[nH]1.
What is the InChIKey of 7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide?
The InChIKey is MLJUFJPLOOSTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-2-9(7-17)15-13(18)11-6-8-4-3-5-10(14)12(8)16-11/h3-6,9,16-17H,2,7H2,1H3,(H,15,18).
What are the key properties of 7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide?
7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(1-hydroxybutan-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 108791722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).