4-(6-chloro-5-methoxy-1H-indol-3-yl)-N-ethylbutanamide

C15H19ClN2O2 — CID 67673227

IUPAC4-(6-chloro-5-methoxy-1H-indol-3-yl)-N-ethylbutanamide
SMILESCCNC(=O)CCCc1c[nH]c2cc(Cl)c(OC)cc12
InChIInChI=1S/C15H19ClN2O2/c1-3-17-15(19)6-4-5-10-9-18-13-8-12(16)14(20-2)7-11(10)13/h7-9,18H,3-6H2,1-2H3,(H,17,19)
InChIKeyKAAXOJHJAPZAHU-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.29
Rot. Bonds6

About 4-(6-chloro-5-methoxy-1H-indol-3-yl)-N-ethylbutanamide

4-(6-chloro-5-methoxy-1H-indol-3-yl)-N-ethylbutanamide (PubChem CID 67673227) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 4-(6-chloro-5-methoxy-1H-indol-3-yl)-N-ethylbutanamide.

Molecular Properties

Compound Name4-(6-chloro-5-methoxy-1H-indol-3-yl)-N-ethylbutanamide
PubChem CID67673227
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name4-(6-chloro-5-methoxy-1H-indol-3-yl)-N-ethylbutanamide
SMILESCCNC(=O)CCCc1c[nH]c2cc(Cl)c(OC)cc12
InChIInChI=1S/C15H19ClN2O2/c1-3-17-15(19)6-4-5-10-9-18-13-8-12(16)14(20-2)7-11(10)13/h7-9,18H,3-6H2,1-2H3,(H,17,19)
InChIKeyKAAXOJHJAPZAHU-UHFFFAOYSA-N
XLogP3.29
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-chloro-5-methoxy-1H-indol-3-yl)butan-2-one
CID 82499388
4-(6,7-dichloro-5-methoxy-1H-indol-3-yl)-N-propan-2-ylbutanamide
CID 67672252
N-[2-(6-chloro-1H-indol-3-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113083842
methyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate
CID 51156523
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
N,N'-bis[(2-chloro-4,5-dimethoxyphenyl)methyl]octanediamide
CID 54786049
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
CID 43591663
4-(5-chloro-2-ethyl-4-methoxyphenyl)butanoic acid
CID 117395261
15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide
CID 160629194

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-methoxy-1H-indol-3-yl)-N-ethylbutanamide?
The IUPAC name of 4-(6-chloro-5-methoxy-1H-indol-3-yl)-N-ethylbutanamide (CID 67673227) is 4-(6-chloro-5-methoxy-1H-indol-3-yl)-N-ethylbutanamide.
What is the SMILES notation for 4-(6-chloro-5-methoxy-1H-indol-3-yl)-N-ethylbutanamide?
The canonical SMILES for 4-(6-chloro-5-methoxy-1H-indol-3-yl)-N-ethylbutanamide is CCNC(=O)CCCc1c[nH]c2cc(Cl)c(OC)cc12.
What is the InChIKey of 4-(6-chloro-5-methoxy-1H-indol-3-yl)-N-ethylbutanamide?
The InChIKey is KAAXOJHJAPZAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-3-17-15(19)6-4-5-10-9-18-13-8-12(16)14(20-2)7-11(10)13/h7-9,18H,3-6H2,1-2H3,(H,17,19).
What are the key properties of 4-(6-chloro-5-methoxy-1H-indol-3-yl)-N-ethylbutanamide?
4-(6-chloro-5-methoxy-1H-indol-3-yl)-N-ethylbutanamide has a molecular weight of 294.78 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-methoxy-1H-indol-3-yl)-N-ethylbutanamide is sourced from PubChem (CID 67673227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).