3-(3,4-dichlorophenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide

C18H16Cl2N2O2 — CID 83284948

IUPAC3-(3,4-dichlorophenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide
SMILESCOc1ccc2[nH]cc(C(CC(N)=O)c3ccc(Cl)c(Cl)c3)c2c1
InChIInChI=1S/C18H16Cl2N2O2/c1-24-11-3-5-17-13(7-11)14(9-22-17)12(8-18(21)23)10-2-4-15(19)16(20)6-10/h2-7,9,12,22H,8H2,1H3,(H2,21,23)
InChIKeyAIFSUHNIUKAUHO-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.49
Rot. Bonds5

About 3-(3,4-dichlorophenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide

3-(3,4-dichlorophenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide (PubChem CID 83284948) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide
PubChem CID83284948
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name3-(3,4-dichlorophenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide
SMILESCOc1ccc2[nH]cc(C(CC(N)=O)c3ccc(Cl)c(Cl)c3)c2c1
InChIInChI=1S/C18H16Cl2N2O2/c1-24-11-3-5-17-13(7-11)14(9-22-17)12(8-18(21)23)10-2-4-15(19)16(20)6-10/h2-7,9,12,22H,8H2,1H3,(H2,21,23)
InChIKeyAIFSUHNIUKAUHO-UHFFFAOYSA-N
XLogP4.49
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(5-methoxy-1H-indol-3-yl)pentanoate
CID 54293659
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
ethyl (3R)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171199762
ethyl (3S)-3-amino-3-(5-methoxy-1H-indol-3-yl)propanoate;hydrochloride
CID 171219289
2-(dimethylamino)-2-(5-methoxy-1H-indol-3-yl)ethanethioamide
CID 84749835
ethyl 2-(5-methoxy-1H-indol-3-yl)-3-methylpentanoate
CID 102584304
5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole
CID 102154292
1-dimethoxyphosphoryl-4-(5-methoxy-1H-indol-3-yl)pentan-2-one
CID 102085715
4-(5-methoxy-1H-indol-3-yl)pentanoic acid
CID 115420787
3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol
CID 177308406
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
(2S)-2-[[6-(5-methoxy-1H-indol-3-yl)-6-(4-methoxyphenyl)-4-oxohexanoyl]amino]-3-phenylpropanoic acid
CID 25141304

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide (CID 83284948) is 3-(3,4-dichlorophenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide is COc1ccc2[nH]cc(C(CC(N)=O)c3ccc(Cl)c(Cl)c3)c2c1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide?
The InChIKey is AIFSUHNIUKAUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-24-11-3-5-17-13(7-11)14(9-22-17)12(8-18(21)23)10-2-4-15(19)16(20)6-10/h2-7,9,12,22H,8H2,1H3,(H2,21,23).
What are the key properties of 3-(3,4-dichlorophenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide?
3-(3,4-dichlorophenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide has a molecular weight of 363.24 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-3-(5-methoxy-1H-indol-3-yl)propanamide is sourced from PubChem (CID 83284948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).