(3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide

C23H27Cl2N3O — CID 93123792

IUPAC(3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
SMILESCCc1cccc2c([C@H](CC(=O)NCCN(C)C)c3ccc(Cl)c(Cl)c3)c[nH]c12
InChIInChI=1S/C23H27Cl2N3O/c1-4-15-6-5-7-17-19(14-27-23(15)17)18(13-22(29)26-10-11-28(2)3)16-8-9-20(24)21(25)12-16/h5-9,12,14,18,27H,4,10-11,13H2,1-3H3,(H,26,29)/t18-/m1/s1
InChIKeyVXCQAOJVRXXQSJ-GOSISDBHSA-N
MW432.40 g/mol
LogP5.24
Rot. Bonds8

About (3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide

(3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide (PubChem CID 93123792) has the molecular formula C23H27Cl2N3O and a molecular weight of 432.40 g/mol. Its IUPAC name is (3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name(3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
PubChem CID93123792
Molecular FormulaC23H27Cl2N3O
Molecular Weight432.40 g/mol
Exact Mass431.15
IUPAC Name(3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
SMILESCCc1cccc2c([C@H](CC(=O)NCCN(C)C)c3ccc(Cl)c(Cl)c3)c[nH]c12
InChIInChI=1S/C23H27Cl2N3O/c1-4-15-6-5-7-17-19(14-27-23(15)17)18(13-22(29)26-10-11-28(2)3)16-8-9-20(24)21(25)12-16/h5-9,12,14,18,27H,4,10-11,13H2,1-3H3,(H,26,29)/t18-/m1/s1
InChIKeyVXCQAOJVRXXQSJ-GOSISDBHSA-N
XLogP5.24
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.40
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-phenylethyl)propanamide
CID 24718694
N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
CID 42802349
(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 93140233
(3S)-3-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93123771
(3S)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 93123779
(3R)-3-(3,4-dichlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 93123778
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
CID 42774598
(3R)-3-(4-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide
CID 93122197
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-methoxyethyl)propanamide
CID 42808770
3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-hexylpropanamide
CID 42802283
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42774604
3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 42802325

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide?
The IUPAC name of (3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide (CID 93123792) is (3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide.
What is the SMILES notation for (3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide?
The canonical SMILES for (3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide is CCc1cccc2c([C@H](CC(=O)NCCN(C)C)c3ccc(Cl)c(Cl)c3)c[nH]c12.
What is the InChIKey of (3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide?
The InChIKey is VXCQAOJVRXXQSJ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27Cl2N3O/c1-4-15-6-5-7-17-19(14-27-23(15)17)18(13-22(29)26-10-11-28(2)3)16-8-9-20(24)21(25)12-16/h5-9,12,14,18,27H,4,10-11,13H2,1-3H3,(H,26,29)/t18-/m1/s1.
What are the key properties of (3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide?
(3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide has a molecular weight of 432.40 g/mol, XLogP of 5.24, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)propanamide is sourced from PubChem (CID 93123792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).