(2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide

C19H21N3O5 — CID 39972982

IUPAC(2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1
InChIInChI=1S/C19H21N3O5/c1-26-15-9-10-16(18(12-15)27-2)17-4-3-11-21(17)19(23)20-13-5-7-14(8-6-13)22(24)25/h5-10,12,17H,3-4,11H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeyIMAHMRMXUCQIOC-QGZVFWFLSA-N
MW371.39 g/mol
LogP3.98
Rot. Bonds5

About (2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide

(2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide (PubChem CID 39972982) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is (2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
PubChem CID39972982
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name(2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc([C@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1
InChIInChI=1S/C19H21N3O5/c1-26-15-9-10-16(18(12-15)27-2)17-4-3-11-21(17)19(23)20-13-5-7-14(8-6-13)22(24)25/h5-10,12,17H,3-4,11H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeyIMAHMRMXUCQIOC-QGZVFWFLSA-N
XLogP3.98
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-difluoro-4-methoxyphenyl)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 60543433
(2R)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800272
(2S)-2-(2,4-dimethoxyphenyl)-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 92800271
(2R)-2-(2,5-dimethoxyphenyl)-N-(4-nitrophenyl)-1,3-thiazolidine-3-carboxamide
CID 7283013
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 8835179
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
(2R)-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 95276109
(2S)-2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 30238687
(3R)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 40919247
N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 55697171
2-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)pyrrolidine-1-carboxamide
CID 51111508
1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 42026214

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide (CID 39972982) is (2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide is COc1ccc([C@H]2CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1.
What is the InChIKey of (2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide?
The InChIKey is IMAHMRMXUCQIOC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-26-15-9-10-16(18(12-15)27-2)17-4-3-11-21(17)19(23)20-13-5-7-14(8-6-13)22(24)25/h5-10,12,17H,3-4,11H2,1-2H3,(H,20,23)/t17-/m1/s1.
What are the key properties of (2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide?
(2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dimethoxyphenyl)-N-(4-nitrophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 39972982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).