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

C18H17BrN2O — CID 70209057

IUPACN-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCc1ccccc1Br
InChIInChI=1S/C18H17BrN2O/c19-16-7-3-1-5-14(16)12-21-18(22)10-9-13-11-20-17-8-4-2-6-15(13)17/h1-8,11,20H,9-10,12H2,(H,21,22)
InChIKeyAFHWJYBUGWMHDB-UHFFFAOYSA-N
MW357.25 g/mol
LogP4.18
Rot. Bonds5

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

N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide (PubChem CID 70209057) has the molecular formula C18H17BrN2O and a molecular weight of 357.25 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
PubChem CID70209057
Molecular FormulaC18H17BrN2O
Molecular Weight357.25 g/mol
Exact Mass356.05
IUPAC NameN-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NCc1ccccc1Br
InChIInChI=1S/C18H17BrN2O/c19-16-7-3-1-5-14(16)12-21-18(22)10-9-13-11-20-17-8-4-2-6-15(13)17/h1-8,11,20H,9-10,12H2,(H,21,22)
InChIKeyAFHWJYBUGWMHDB-UHFFFAOYSA-N
XLogP4.18
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
CID 43582891
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841
N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide
CID 115636757
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 26447481
N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 17478687
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
N-(2-ethoxyethyl)-3-(1H-indol-3-yl)propanamide
CID 43591658
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 38537408

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide (CID 70209057) is N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is AFHWJYBUGWMHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O/c19-16-7-3-1-5-14(16)12-21-18(22)10-9-13-11-20-17-8-4-2-6-15(13)17/h1-8,11,20H,9-10,12H2,(H,21,22).
What are the key properties of N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide?
N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 357.25 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 70209057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).