N-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide

C20H21BrN2O — CID 41099576

IUPACN-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide
SMILESCC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C20H21BrN2O/c1-2-18(14-7-10-16(21)11-8-14)23-20(24)12-9-15-13-22-19-6-4-3-5-17(15)19/h3-8,10-11,13,18,22H,2,9,12H2,1H3,(H,23,24)/t18-/m1/s1
InChIKeyOUDRPRKEGDRHDT-GOSISDBHSA-N
MW385.31 g/mol
LogP5.13
Rot. Bonds6

About N-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide

N-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 41099576) has the molecular formula C20H21BrN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide
PubChem CID41099576
Molecular FormulaC20H21BrN2O
Molecular Weight385.31 g/mol
Exact Mass384.08
IUPAC NameN-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide
SMILESCC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C20H21BrN2O/c1-2-18(14-7-10-16(21)11-8-14)23-20(24)12-9-15-13-22-19-6-4-3-5-17(15)19/h3-8,10-11,13,18,22H,2,9,12H2,1H3,(H,23,24)/t18-/m1/s1
InChIKeyOUDRPRKEGDRHDT-GOSISDBHSA-N
XLogP5.13
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.31
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 24544612
[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7518443
[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7518426
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 97086843
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
(2R)-N-[(2R)-butan-2-yl]-2-[3-(1H-indol-3-yl)propanoylamino]propanamide
CID 52781483
(2S,3S)-2-[3-(1H-indol-3-yl)propanoylamino]-3-methylpentanoic acid
CID 7094652
N-[2-(4-bromophenyl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide
CID 55716276
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide
CID 70160592
2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730
N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 115662191

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide (CID 41099576) is N-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide is CC[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is OUDRPRKEGDRHDT-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21BrN2O/c1-2-18(14-7-10-16(21)11-8-14)23-20(24)12-9-15-13-22-19-6-4-3-5-17(15)19/h3-8,10-11,13,18,22H,2,9,12H2,1H3,(H,23,24)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide?
N-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 385.31 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 41099576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).