N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide

C19H21BrN2O2 — CID 55498802

IUPACN-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1cccc(C2CCCN2CC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C19H21BrN2O2/c1-24-17-5-2-4-14(12-17)18-6-3-11-22(18)13-19(23)21-16-9-7-15(20)8-10-16/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,21,23)
InChIKeyIQKBCOOWCSNQGF-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.23
Rot. Bonds5

About N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide

N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide (PubChem CID 55498802) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
PubChem CID55498802
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
SMILESCOc1cccc(C2CCCN2CC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C19H21BrN2O2/c1-24-17-5-2-4-14(12-17)18-6-3-11-22(18)13-19(23)21-16-9-7-15(20)8-10-16/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,21,23)
InChIKeyIQKBCOOWCSNQGF-UHFFFAOYSA-N
XLogP4.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313328
2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 41269116
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 24596121
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41416275
N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41415749
N-[2-(difluoromethoxy)phenyl]-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313371
2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 41415745
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 17445025
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17495586
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51474720

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide (CID 55498802) is N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide is COc1cccc(C2CCCN2CC(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is IQKBCOOWCSNQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-24-17-5-2-4-14(12-17)18-6-3-11-22(18)13-19(23)21-16-9-7-15(20)8-10-16/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,21,23).
What are the key properties of N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide?
N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 389.29 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 55498802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).