N-[(3,4-dichlorophenyl)methyl]-3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxamide

C24H26Cl2N4O2 — CID 69352377

IUPACN-[(3,4-dichlorophenyl)methyl]-3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)Cn1cc(C2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)C2)c2ccccc21
InChIInChI=1S/C24H26Cl2N4O2/c1-28(2)23(31)15-30-14-19(18-5-3-4-6-22(18)30)17-9-10-29(13-17)24(32)27-12-16-7-8-20(25)21(26)11-16/h3-8,11,14,17H,9-10,12-13,15H2,1-2H3,(H,27,32)
InChIKeySBDCIKCVGWAEDB-UHFFFAOYSA-N
MW473.40 g/mol
LogP4.74
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxamide

N-[(3,4-dichlorophenyl)methyl]-3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxamide (PubChem CID 69352377) has the molecular formula C24H26Cl2N4O2 and a molecular weight of 473.40 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxamide
PubChem CID69352377
Molecular FormulaC24H26Cl2N4O2
Molecular Weight473.40 g/mol
Exact Mass472.14
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxamide
SMILESCN(C)C(=O)Cn1cc(C2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)C2)c2ccccc21
InChIInChI=1S/C24H26Cl2N4O2/c1-28(2)23(31)15-30-14-19(18-5-3-4-6-22(18)30)17-9-10-29(13-17)24(32)27-12-16-7-8-20(25)21(26)11-16/h3-8,11,14,17H,9-10,12-13,15H2,1-2H3,(H,27,32)
InChIKeySBDCIKCVGWAEDB-UHFFFAOYSA-N
XLogP4.74
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxylic acid
CID 91165226
2-[3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide
CID 11574724
(2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide
CID 126447521
4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 23587403
2-[3-[1-[[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]piperidin-4-yl]methyl]piperidin-4-yl]indol-1-yl]-N-propan-2-ylacetamide
CID 44526838
N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 124852047
[4-(1-propylindol-3-yl)piperidin-1-yl]-(2,4,6-trichlorophenyl)methanone
CID 46090085
2-[3-[(3,4-dichlorophenyl)methylsulfonyl]indol-1-yl]-N,N-diethylacetamide
CID 16834478
3-(1-methylindol-3-yl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidine-1-carboxamide
CID 167748791
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 55412914
(2,3-dimethylphenyl)-[3-(1-ethylindol-3-yl)pyrrolidin-1-yl]methanone
CID 11695927
4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 52934262

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxamide (CID 69352377) is N-[(3,4-dichlorophenyl)methyl]-3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxamide is CN(C)C(=O)Cn1cc(C2CCN(C(=O)NCc3ccc(Cl)c(Cl)c3)C2)c2ccccc21.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is SBDCIKCVGWAEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O2/c1-28(2)23(31)15-30-14-19(18-5-3-4-6-22(18)30)17-9-10-29(13-17)24(32)27-12-16-7-8-20(25)21(26)11-16/h3-8,11,14,17H,9-10,12-13,15H2,1-2H3,(H,27,32).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 473.40 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 69352377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).