4-(6,7-dichloro-5-methoxy-1H-indol-3-yl)-N-propan-2-ylbutanamide

C16H20Cl2N2O2 — CID 67672252

IUPAC4-(6,7-dichloro-5-methoxy-1H-indol-3-yl)-N-propan-2-ylbutanamide
SMILESCOc1cc2c(CCCC(=O)NC(C)C)c[nH]c2c(Cl)c1Cl
InChIInChI=1S/C16H20Cl2N2O2/c1-9(2)20-13(21)6-4-5-10-8-19-16-11(10)7-12(22-3)14(17)15(16)18/h7-9,19H,4-6H2,1-3H3,(H,20,21)
InChIKeyABMQSIIBODADIT-UHFFFAOYSA-N
MW343.25 g/mol
LogP4.33
Rot. Bonds6

About 4-(6,7-dichloro-5-methoxy-1H-indol-3-yl)-N-propan-2-ylbutanamide

4-(6,7-dichloro-5-methoxy-1H-indol-3-yl)-N-propan-2-ylbutanamide (PubChem CID 67672252) has the molecular formula C16H20Cl2N2O2 and a molecular weight of 343.25 g/mol. Its IUPAC name is 4-(6,7-dichloro-5-methoxy-1H-indol-3-yl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(6,7-dichloro-5-methoxy-1H-indol-3-yl)-N-propan-2-ylbutanamide
PubChem CID67672252
Molecular FormulaC16H20Cl2N2O2
Molecular Weight343.25 g/mol
Exact Mass342.09
IUPAC Name4-(6,7-dichloro-5-methoxy-1H-indol-3-yl)-N-propan-2-ylbutanamide
SMILESCOc1cc2c(CCCC(=O)NC(C)C)c[nH]c2c(Cl)c1Cl
InChIInChI=1S/C16H20Cl2N2O2/c1-9(2)20-13(21)6-4-5-10-8-19-16-11(10)7-12(22-3)14(17)15(16)18/h7-9,19H,4-6H2,1-3H3,(H,20,21)
InChIKeyABMQSIIBODADIT-UHFFFAOYSA-N
XLogP4.33
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-chloro-5-methoxy-1H-indol-3-yl)-N-ethylbutanamide
CID 67673227
2-(7-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847883
methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
CID 60638102
N-[1-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 42998457
3-(2-chloro-4-formyl-6-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 62625897
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
4-(7-methoxy-5-methyl-1H-indol-3-yl)butan-2-one
CID 82495434
methyl 5-[[4-(1H-indol-3-yl)butanoylamino]methyl]-2-methoxybenzoate
CID 51156523
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
3-(5-amino-2-chlorophenyl)-N-propan-2-ylpropanamide
CID 172652013
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
4-(6-chloro-5-methoxy-1H-indol-3-yl)butan-2-one
CID 82499388

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dichloro-5-methoxy-1H-indol-3-yl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-(6,7-dichloro-5-methoxy-1H-indol-3-yl)-N-propan-2-ylbutanamide (CID 67672252) is 4-(6,7-dichloro-5-methoxy-1H-indol-3-yl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(6,7-dichloro-5-methoxy-1H-indol-3-yl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(6,7-dichloro-5-methoxy-1H-indol-3-yl)-N-propan-2-ylbutanamide is COc1cc2c(CCCC(=O)NC(C)C)c[nH]c2c(Cl)c1Cl.
What is the InChIKey of 4-(6,7-dichloro-5-methoxy-1H-indol-3-yl)-N-propan-2-ylbutanamide?
The InChIKey is ABMQSIIBODADIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O2/c1-9(2)20-13(21)6-4-5-10-8-19-16-11(10)7-12(22-3)14(17)15(16)18/h7-9,19H,4-6H2,1-3H3,(H,20,21).
What are the key properties of 4-(6,7-dichloro-5-methoxy-1H-indol-3-yl)-N-propan-2-ylbutanamide?
4-(6,7-dichloro-5-methoxy-1H-indol-3-yl)-N-propan-2-ylbutanamide has a molecular weight of 343.25 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dichloro-5-methoxy-1H-indol-3-yl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 67672252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).