(2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide

C18H19N3O3 — CID 94080933

IUPAC(2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O3/c1-13-7-2-3-8-14(13)16-11-6-12-20(16)18(22)19-15-9-4-5-10-17(15)21(23)24/h2-5,7-10,16H,6,11-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyCASFFELAOIRTQX-INIZCTEOSA-N
MW325.37 g/mol
LogP4.27
Rot. Bonds3

About (2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide

(2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide (PubChem CID 94080933) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide
PubChem CID94080933
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide
SMILESCc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H19N3O3/c1-13-7-2-3-8-14(13)16-11-6-12-20(16)18(22)19-15-9-4-5-10-17(15)21(23)24/h2-5,7-10,16H,6,11-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyCASFFELAOIRTQX-INIZCTEOSA-N
XLogP4.27
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(2S)-2-(4-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide
CID 51855647
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
(2S)-2-(2-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855883
2-(2-methylphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993661
(2R)-2-N-(3-methylbutyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 7441368
(2S)-2-N-(2,6-dimethoxyphenyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 7441407
(7R)-N-(2-nitrophenyl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide
CID 51961669
(2R)-N-(5-cyano-2-propan-2-yloxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 95138449
(2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 7441391
(2S)-N-(3-methoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856233
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 51856038
(2R)-2-(2-methylphenyl)-N-phenylmethoxypyrrolidine-1-carboxamide
CID 94867549

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide (CID 94080933) is (2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide is Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide?
The InChIKey is CASFFELAOIRTQX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-7-2-3-8-14(13)16-11-6-12-20(16)18(22)19-15-9-4-5-10-17(15)21(23)24/h2-5,7-10,16H,6,11-12H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide?
(2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylphenyl)-N-(2-nitrophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 94080933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).