N-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide

C19H19BrN2O — CID 55577883

IUPACN-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide
SMILESCC(NC(=O)CCn1ccc2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C19H19BrN2O/c1-14(16-6-4-7-17(20)13-16)21-19(23)10-12-22-11-9-15-5-2-3-8-18(15)22/h2-9,11,13-14H,10,12H2,1H3,(H,21,23)
InChIKeyBAMHOHYLLUPCKL-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.67
Rot. Bonds5

About N-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide

N-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide (PubChem CID 55577883) has the molecular formula C19H19BrN2O and a molecular weight of 371.28 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide
PubChem CID55577883
Molecular FormulaC19H19BrN2O
Molecular Weight371.28 g/mol
Exact Mass370.07
IUPAC NameN-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide
SMILESCC(NC(=O)CCn1ccc2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C19H19BrN2O/c1-14(16-6-4-7-17(20)13-16)21-19(23)10-12-22-11-9-15-5-2-3-8-18(15)22/h2-9,11,13-14H,10,12H2,1H3,(H,21,23)
InChIKeyBAMHOHYLLUPCKL-UHFFFAOYSA-N
XLogP4.67
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-indol-1-yl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 55580848
2-(5-bromoindol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40631420
3-indol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 47018589
3-indol-1-yl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]propanamide
CID 31002408
N-[1-(3-bromophenyl)ethyl]-4-chlorobutanamide
CID 63307697
N-[(1S)-1-(3-bromophenyl)ethyl]-2-phenylacetamide
CID 28558064
N-[1-(3-bromophenyl)ethyl]pent-4-enamide
CID 62678897
5-amino-N-[(1R)-1-(3-bromophenyl)ethyl]pentanamide
CID 81376172
N-[1-(3-bromophenyl)ethyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide
CID 55575236
N-[(1R)-1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 81376466
N-[1-(3-bromophenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842363
3-indol-1-yl-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 18115503

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide (CID 55577883) is N-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide is CC(NC(=O)CCn1ccc2ccccc21)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide?
The InChIKey is BAMHOHYLLUPCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O/c1-14(16-6-4-7-17(20)13-16)21-19(23)10-12-22-11-9-15-5-2-3-8-18(15)22/h2-9,11,13-14H,10,12H2,1H3,(H,21,23).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide?
N-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide has a molecular weight of 371.28 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-3-indol-1-ylpropanamide is sourced from PubChem (CID 55577883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).