N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide

C20H21BrN2O — CID 24544612

IUPACN-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESCC(NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C20H21BrN2O/c1-14(15-9-11-17(21)12-10-15)23-20(24)8-4-5-16-13-22-19-7-3-2-6-18(16)19/h2-3,6-7,9-14,22H,4-5,8H2,1H3,(H,23,24)
InChIKeyLTHSQTONFKCNHC-UHFFFAOYSA-N
MW385.31 g/mol
LogP5.13
Rot. Bonds6

About N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide

N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide (PubChem CID 24544612) has the molecular formula C20H21BrN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
PubChem CID24544612
Molecular FormulaC20H21BrN2O
Molecular Weight385.31 g/mol
Exact Mass384.08
IUPAC NameN-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
SMILESCC(NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C20H21BrN2O/c1-14(15-9-11-17(21)12-10-15)23-20(24)8-4-5-16-13-22-19-7-3-2-6-18(16)19/h2-3,6-7,9-14,22H,4-5,8H2,1H3,(H,23,24)
InChIKeyLTHSQTONFKCNHC-UHFFFAOYSA-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

4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
N-[1-(4-chlorophenyl)ethyl]-4-(1H-indol-3-yl)butanamide
CID 42998457
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
N-[4-[1-[4-(1H-indol-3-yl)butanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55584532
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229
N-[1-[4-(dimethylamino)phenyl]ethyl]-3-(1H-indol-3-yl)propanamide
CID 70160592
N-[(1R)-1-(4-bromophenyl)propyl]-3-(1H-indol-3-yl)propanamide
CID 41099576
3-(1H-indol-3-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4794791
methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
CID 60638102
N-(1-hydroxy-4-methylpentan-2-yl)-4-(1H-indol-3-yl)butanamide
CID 110902772
(2S,3R)-3-hydroxy-2-[4-(1H-indol-3-yl)butanoylamino]butanoate
CID 7678933
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]-N,4-dimethylpentanamide
CID 52632899

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide (CID 24544612) is N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide is CC(NC(=O)CCCc1c[nH]c2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide?
The InChIKey is LTHSQTONFKCNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O/c1-14(15-9-11-17(21)12-10-15)23-20(24)8-4-5-16-13-22-19-7-3-2-6-18(16)19/h2-3,6-7,9-14,22H,4-5,8H2,1H3,(H,23,24).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide?
N-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide 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-[1-(4-bromophenyl)ethyl]-4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 24544612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).