N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide

C19H18Cl2N2O — CID 26622391

IUPACN-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H18Cl2N2O/c1-23(12-13-6-8-16(20)17(21)10-13)19(24)9-7-14-11-22-18-5-3-2-4-15(14)18/h2-6,8,10-11,22H,7,9,12H2,1H3
InChIKeyPYKZCQJESFGVAC-UHFFFAOYSA-N
MW361.27 g/mol
LogP5.07
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide

N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 26622391) has the molecular formula C19H18Cl2N2O and a molecular weight of 361.27 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID26622391
Molecular FormulaC19H18Cl2N2O
Molecular Weight361.27 g/mol
Exact Mass360.08
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C19H18Cl2N2O/c1-23(12-13-6-8-16(20)17(21)10-13)19(24)9-7-14-11-22-18-5-3-2-4-15(14)18/h2-6,8,10-11,22H,7,9,12H2,1H3
InChIKeyPYKZCQJESFGVAC-UHFFFAOYSA-N
XLogP5.07
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.27
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 50984517
3-(1H-indol-3-yl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]propanamide
CID 31180102
N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678
N-[(2,4-difluorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 30707132
3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 86908150
3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide
CID 112698086
N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide
CID 3637218
N-[(3,4-dichlorophenyl)methyl]-2-[dimethylcarbamoyl(3-methoxypropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 3416755
N-cyclopropyl-N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42771067
N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 123961243
N-[2-[(3,4-dichlorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 5171874
2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 43429962

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide (CID 26622391) is N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is PYKZCQJESFGVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O/c1-23(12-13-6-8-16(20)17(21)10-13)19(24)9-7-14-11-22-18-5-3-2-4-15(14)18/h2-6,8,10-11,22H,7,9,12H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide?
N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 361.27 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 26622391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).