N-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide

C13H15ClN2O3 — CID 143202416

IUPACN-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide
SMILESCOC1CC(C=O)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H15ClN2O3/c1-19-12-6-11(8-17)16(7-12)13(18)15-10-4-2-9(14)3-5-10/h2-5,8,11-12H,6-7H2,1H3,(H,15,18)
InChIKeyLLEBVWPWXYLTIB-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.16
Rot. Bonds3

About N-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide

N-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide (PubChem CID 143202416) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide
PubChem CID143202416
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC NameN-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide
SMILESCOC1CC(C=O)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H15ClN2O3/c1-19-12-6-11(8-17)16(7-12)13(18)15-10-4-2-9(14)3-5-10/h2-5,8,11-12H,6-7H2,1H3,(H,15,18)
InChIKeyLLEBVWPWXYLTIB-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide
CID 89155887
(2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)pyrrolidine-1,2-dicarboxamide
CID 16722214
(2R,4R)-2-formyl-4-methoxypyrrolidine-1-carboxylic acid
CID 134282102
(2R,4R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(4-pyrazol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
CID 58619630
1-[(4-chloro-3-fluorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61468601
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-(ethylamino)pyrrolidine-1-carbonyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68807615
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
(2R)-2-acetyl-N-(4-chlorophenyl)-4-methoxy-2-methylpyrrolidine-1-carboxamide
CID 70665653
1-[(4-bromo-3-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 107614576
1-[(4-chlorophenyl)methylcarbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 61192553
(2R)-1-N-(4-chlorophenyl)-4-methoxy-2-N-(3-methyl-5-methylidene-2,4-dihydro-1H-3-benzazepin-7-yl)pyrrolidine-1,2-dicarboxamide
CID 143526113
(2R,4R)-2-N-[4-(5-chloro-2-oxo-1-pyridinyl)-2-fluorophenyl]-1-N-(4-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide
CID 59768169

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide (CID 143202416) is N-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide is COC1CC(C=O)N(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide?
The InChIKey is LLEBVWPWXYLTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-19-12-6-11(8-17)16(7-12)13(18)15-10-4-2-9(14)3-5-10/h2-5,8,11-12H,6-7H2,1H3,(H,15,18).
What are the key properties of N-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide?
N-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide has a molecular weight of 282.73 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 143202416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).