N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-hydroxybutanamide

C15H19ClN2O2 — CID 171518390

IUPACN-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-hydroxybutanamide
SMILESCCc1cc2[nH]c(CNC(=O)C(O)CC)cc2cc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-3-9-7-13-10(6-12(9)16)5-11(18-13)8-17-15(20)14(19)4-2/h5-7,14,18-19H,3-4,8H2,1-2H3,(H,17,20)
InChIKeyHOVRXLLHKJUYLQ-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.77
Rot. Bonds5

About N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-hydroxybutanamide

N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-hydroxybutanamide (PubChem CID 171518390) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-hydroxybutanamide.

Molecular Properties

Compound NameN-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-hydroxybutanamide
PubChem CID171518390
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-hydroxybutanamide
SMILESCCc1cc2[nH]c(CNC(=O)C(O)CC)cc2cc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-3-9-7-13-10(6-12(9)16)5-11(18-13)8-17-15(20)14(19)4-2/h5-7,14,18-19H,3-4,8H2,1-2H3,(H,17,20)
InChIKeyHOVRXLLHKJUYLQ-UHFFFAOYSA-N
XLogP2.77
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide
CID 171731951
N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-methyloxetane-2-carboxamide
CID 174324497
(2R)-N-[[5-chloro-6-[(3-methyl-1,2-oxazol-5-yl)methoxy]-1H-indol-2-yl]methyl]-2-hydroxybutanamide
CID 171518498
3-fluoro-2-hydroxy-N-[(5-methyl-6-propan-2-yl-1H-indol-2-yl)methyl]propanamide
CID 171518789
1-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-3-(2,2-difluoroethyl)urea
CID 171519675
propan-2-yl N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]carbamate
CID 171518961
2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide
CID 86286685
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 171731958
N-[[5-chloro-6-(2-hydroxyethoxy)-1H-indol-2-yl]methyl]acetamide
CID 171518937
N-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518864
1-[[5-chloro-6-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-1H-indol-2-yl]methyl]-3-methylurea
CID 177338113
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]piperidine-1-carboxamide;ethane
CID 171519771

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-hydroxybutanamide?
The IUPAC name of N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-hydroxybutanamide (CID 171518390) is N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-hydroxybutanamide.
What is the SMILES notation for N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-hydroxybutanamide?
The canonical SMILES for N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-hydroxybutanamide is CCc1cc2[nH]c(CNC(=O)C(O)CC)cc2cc1Cl.
What is the InChIKey of N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-hydroxybutanamide?
The InChIKey is HOVRXLLHKJUYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-9-7-13-10(6-12(9)16)5-11(18-13)8-17-15(20)14(19)4-2/h5-7,14,18-19H,3-4,8H2,1-2H3,(H,17,20).
What are the key properties of N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-hydroxybutanamide?
N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-hydroxybutanamide has a molecular weight of 294.78 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-6-ethyl-1H-indol-2-yl)methyl]-2-hydroxybutanamide is sourced from PubChem (CID 171518390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).