N-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide

C18H21BrN2OS — CID 86953240

IUPACN-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
SMILESCc1ccc(C2CCCN2CCC(=O)Nc2ccccc2Br)s1
InChIInChI=1S/C18H21BrN2OS/c1-13-8-9-17(23-13)16-7-4-11-21(16)12-10-18(22)20-15-6-3-2-5-14(15)19/h2-3,5-6,8-9,16H,4,7,10-12H2,1H3,(H,20,22)
InChIKeyJHGJBWAPPYRQMP-UHFFFAOYSA-N
MW393.35 g/mol
LogP4.98
Rot. Bonds5

About N-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide

N-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide (PubChem CID 86953240) has the molecular formula C18H21BrN2OS and a molecular weight of 393.35 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
PubChem CID86953240
Molecular FormulaC18H21BrN2OS
Molecular Weight393.35 g/mol
Exact Mass392.06
IUPAC NameN-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
SMILESCc1ccc(C2CCCN2CCC(=O)Nc2ccccc2Br)s1
InChIInChI=1S/C18H21BrN2OS/c1-13-8-9-17(23-13)16-7-4-11-21(16)12-10-18(22)20-15-6-3-2-5-14(15)19/h2-3,5-6,8-9,16H,4,7,10-12H2,1H3,(H,20,22)
InChIKeyJHGJBWAPPYRQMP-UHFFFAOYSA-N
XLogP4.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide
CID 86953269
3-[(2R)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95628126
N-(2-bromophenyl)-3-pyrrolidin-1-ylpropanamide
CID 47148429
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2-bromophenyl)acetamide
CID 11931200
N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8976052
methyl 1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62025955
3-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 86952130
2-[1-[2-(2-bromoanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61370730
(2S)-1-(2-methylsulfonylethyl)-2-(5-methylthiophen-2-yl)pyrrolidine
CID 95628123
3-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propanoic acid
CID 125146594
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
N-(2-bromo-4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446623

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide (CID 86953240) is N-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide is Cc1ccc(C2CCCN2CCC(=O)Nc2ccccc2Br)s1.
What is the InChIKey of N-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide?
The InChIKey is JHGJBWAPPYRQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2OS/c1-13-8-9-17(23-13)16-7-4-11-21(16)12-10-18(22)20-15-6-3-2-5-14(15)19/h2-3,5-6,8-9,16H,4,7,10-12H2,1H3,(H,20,22).
What are the key properties of N-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide?
N-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide has a molecular weight of 393.35 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 86953240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).