N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide

C17H15BrN2O — CID 7732917

IUPACN-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1cccc(Br)c1
InChIInChI=1S/C17H15BrN2O/c18-13-4-3-5-14(10-13)20-17(21)9-8-12-11-19-16-7-2-1-6-15(12)16/h1-7,10-11,19H,8-9H2,(H,20,21)
InChIKeyFMDRMNMSUQFRNE-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.50
Rot. Bonds4

About N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide

N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide (PubChem CID 7732917) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
PubChem CID7732917
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC NameN-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1cccc(Br)c1
InChIInChI=1S/C17H15BrN2O/c18-13-4-3-5-14(10-13)20-17(21)9-8-12-11-19-16-7-2-1-6-15(12)16/h1-7,10-11,19H,8-9H2,(H,20,21)
InChIKeyFMDRMNMSUQFRNE-UHFFFAOYSA-N
XLogP4.50
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
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N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
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3-(1H-indol-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
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N-hydroxy-3-(1H-indol-3-yl)propanamide
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3-(1H-indol-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
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N-[3-(1,3-dithian-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide
CID 27842678
N-[3-bromo-4-(pyridin-3-ylamino)phenyl]-3-(1H-indol-3-yl)propanamide
CID 53385177
ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate
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3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide (CID 7732917) is N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is FMDRMNMSUQFRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-13-4-3-5-14(10-13)20-17(21)9-8-12-11-19-16-7-2-1-6-15(12)16/h1-7,10-11,19H,8-9H2,(H,20,21).
What are the key properties of N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide?
N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 343.22 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 7732917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).