N-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide

C20H21BrN2O — CID 134971218

IUPACN-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide
SMILESCN(Cc1ccccc1Br)C(=O)CCc1cn(C)c2ccccc12
InChIInChI=1S/C20H21BrN2O/c1-22-13-15(17-8-4-6-10-19(17)22)11-12-20(24)23(2)14-16-7-3-5-9-18(16)21/h3-10,13H,11-12,14H2,1-2H3
InChIKeyNFBRDSLDMNETEA-UHFFFAOYSA-N
MW385.31 g/mol
LogP4.53
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide

N-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide (PubChem CID 134971218) has the molecular formula C20H21BrN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide
PubChem CID134971218
Molecular FormulaC20H21BrN2O
Molecular Weight385.31 g/mol
Exact Mass384.08
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide
SMILESCN(Cc1ccccc1Br)C(=O)CCc1cn(C)c2ccccc12
InChIInChI=1S/C20H21BrN2O/c1-22-13-15(17-8-4-6-10-19(17)22)11-12-20(24)23(2)14-16-7-3-5-9-18(16)21/h3-10,13H,11-12,14H2,1-2H3
InChIKeyNFBRDSLDMNETEA-UHFFFAOYSA-N
XLogP4.53
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 112728025
N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide
CID 115166394
3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 52669946
1-[methyl-[3-(1-methylindol-3-yl)propanoyl]amino]cyclopentane-1-carboxamide
CID 75498930
N-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78780684
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide
CID 110208151
N-(2-bromophenyl)-4-(1-methylindol-3-yl)butanamide
CID 22522913
N-[(2-bromophenyl)methyl]-N-methylheptanamide
CID 113221232
3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 55833951

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide (CID 134971218) is N-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide is CN(Cc1ccccc1Br)C(=O)CCc1cn(C)c2ccccc12.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide?
The InChIKey is NFBRDSLDMNETEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O/c1-22-13-15(17-8-4-6-10-19(17)22)11-12-20(24)23(2)14-16-7-3-5-9-18(16)21/h3-10,13H,11-12,14H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide?
N-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide has a molecular weight of 385.31 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-3-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 134971218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).