N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide

C18H19BrN2O2 — CID 86986361

IUPACN-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(C2CCCN2C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C18H19BrN2O2/c1-23-16-8-2-5-13(11-16)17-9-4-10-21(17)18(22)20-15-7-3-6-14(19)12-15/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,20,22)
InChIKeyMOARBZBAVKVMJQ-UHFFFAOYSA-N
MW375.27 g/mol
LogP4.83
Rot. Bonds3

About N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide

N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 86986361) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID86986361
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
SMILESCOc1cccc(C2CCCN2C(=O)Nc2cccc(Br)c2)c1
InChIInChI=1S/C18H19BrN2O2/c1-23-16-8-2-5-13(11-16)17-9-4-10-21(17)18(22)20-15-7-3-6-14(19)12-15/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,20,22)
InChIKeyMOARBZBAVKVMJQ-UHFFFAOYSA-N
XLogP4.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987252
N-(3-fluoro-4-methylphenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 86987034
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94028579
2-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydroindol-5-yl)pyrrolidine-1-carboxamide
CID 72867925
(2R)-N-(3,5-dimethoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51855985
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233
3-bromo-N-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 46536557
(2R)-N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(3-methoxyphenyl)piperidine-1-carboxamide
CID 125172176
N-(1H-indazol-6-yl)-2-(3-methoxyphenyl)piperidine-1-carboxamide
CID 72906089
2-(3-methoxyphenyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 146123500

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide (CID 86986361) is N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide is COc1cccc(C2CCCN2C(=O)Nc2cccc(Br)c2)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is MOARBZBAVKVMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-23-16-8-2-5-13(11-16)17-9-4-10-21(17)18(22)20-15-7-3-6-14(19)12-15/h2-3,5-8,11-12,17H,4,9-10H2,1H3,(H,20,22).
What are the key properties of N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide?
N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 375.27 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(3-methoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86986361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).