N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide

C19H21BrN2O2 — CID 86986350

IUPACN-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(C2CCCN2C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-2-24-15-11-9-14(10-12-15)18-8-5-13-22(18)19(23)21-17-7-4-3-6-16(17)20/h3-4,6-7,9-12,18H,2,5,8,13H2,1H3,(H,21,23)
InChIKeyOKQVPKSBJGWCTK-UHFFFAOYSA-N
MW389.29 g/mol
LogP5.22
Rot. Bonds4

About N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide

N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 86986350) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID86986350
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCOc1ccc(C2CCCN2C(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-2-24-15-11-9-14(10-12-15)18-8-5-13-22(18)19(23)21-17-7-4-3-6-16(17)20/h3-4,6-7,9-12,18H,2,5,8,13H2,1H3,(H,21,23)
InChIKeyOKQVPKSBJGWCTK-UHFFFAOYSA-N
XLogP5.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.29
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2-bromophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856141
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856655
(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855939
N-(2,4-difluorophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 51223443
2-(4-chlorophenyl)-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 50747134
N-cyclopropyl-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 47127072
2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 86987525
N-(4-ethoxyphenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 53096328
(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94170252
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
N-(4-ethoxyphenyl)-2-oxo-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 60551873
(2R)-N-(4-ethoxyphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 51855796

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide (CID 86986350) is N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide is CCOc1ccc(C2CCCN2C(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is OKQVPKSBJGWCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-2-24-15-11-9-14(10-12-15)18-8-5-13-22(18)19(23)21-17-7-4-3-6-16(17)20/h3-4,6-7,9-12,18H,2,5,8,13H2,1H3,(H,21,23).
What are the key properties of N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide?
N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 389.29 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-ethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86986350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).