N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide

C20H21BrN2O — CID 20899803

IUPACN-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
SMILESCCn1cc(CCC(=O)NCc2cccc(Br)c2)c2ccccc21
InChIInChI=1S/C20H21BrN2O/c1-2-23-14-16(18-8-3-4-9-19(18)23)10-11-20(24)22-13-15-6-5-7-17(21)12-15/h3-9,12,14H,2,10-11,13H2,1H3,(H,22,24)
InChIKeyPJPHZSLSPFLZQJ-UHFFFAOYSA-N
MW385.31 g/mol
LogP4.67
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide

N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide (PubChem CID 20899803) has the molecular formula C20H21BrN2O and a molecular weight of 385.31 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
PubChem CID20899803
Molecular FormulaC20H21BrN2O
Molecular Weight385.31 g/mol
Exact Mass384.08
IUPAC NameN-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
SMILESCCn1cc(CCC(=O)NCc2cccc(Br)c2)c2ccccc21
InChIInChI=1S/C20H21BrN2O/c1-2-23-14-16(18-8-3-4-9-19(18)23)10-11-20(24)22-13-15-6-5-7-17(21)12-15/h3-9,12,14H,2,10-11,13H2,1H3,(H,22,24)
InChIKeyPJPHZSLSPFLZQJ-UHFFFAOYSA-N
XLogP4.67
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-3-(1-ethylindol-3-yl)propanamide
CID 20899802
N-[(3-chlorophenyl)methyl]-3-(1-ethylindol-4-yl)propanamide
CID 53160248
4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide
CID 22522951
2-[1-[(3-bromophenyl)methyl]indol-3-yl]acetic acid
CID 28599779
3-(1-benzylindol-3-yl)-N-[(4-ethoxyphenyl)methyl]propanamide
CID 4616418
3-(1-benzylindol-3-yl)-N-[2-(5-bromo-2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 1261876
3-(6-bromo-1-ethylindol-3-yl)propanoic acid
CID 117122264
N-[(3-bromophenyl)methyl]-4-hydroxypentanamide
CID 79192945
N-[(2-bromophenyl)methyl]-3-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]propanamide
CID 20900096
ethyl 4-[(3-bromophenyl)methylamino]-4-oxobutanoate
CID 60739512
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794
3-(1-benzylindol-3-yl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 4616420

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide (CID 20899803) is N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide is CCn1cc(CCC(=O)NCc2cccc(Br)c2)c2ccccc21.
What is the InChIKey of N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide?
The InChIKey is PJPHZSLSPFLZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O/c1-2-23-14-16(18-8-3-4-9-19(18)23)10-11-20(24)22-13-15-6-5-7-17(21)12-15/h3-9,12,14H,2,10-11,13H2,1H3,(H,22,24).
What are the key properties of N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide?
N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide has a molecular weight of 385.31 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-3-(1-ethylindol-3-yl)propanamide is sourced from PubChem (CID 20899803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).