(2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide

C12H14ClIN2O2 — CID 89155887

IUPAC(2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide
SMILESCO[C@@H]1C[C@H](I)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H14ClIN2O2/c1-18-10-6-11(14)16(7-10)12(17)15-9-4-2-8(13)3-5-9/h2-5,10-11H,6-7H2,1H3,(H,15,17)/t10-,11-/m1/s1
InChIKeyUYIKPPOGKVLRCJ-GHMZBOCLSA-N
MW380.61 g/mol
LogP3.35
Rot. Bonds2

About (2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide

(2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide (PubChem CID 89155887) has the molecular formula C12H14ClIN2O2 and a molecular weight of 380.61 g/mol. Its IUPAC name is (2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide
PubChem CID89155887
Molecular FormulaC12H14ClIN2O2
Molecular Weight380.61 g/mol
Exact Mass379.98
IUPAC Name(2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide
SMILESCO[C@@H]1C[C@H](I)N(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C12H14ClIN2O2/c1-18-10-6-11(14)16(7-10)12(17)15-9-4-2-8(13)3-5-9/h2-5,10-11H,6-7H2,1H3,(H,15,17)/t10-,11-/m1/s1
InChIKeyUYIKPPOGKVLRCJ-GHMZBOCLSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.61
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-formyl-4-methoxypyrrolidine-1-carboxamide
CID 143202416
(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)-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
(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
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-[2-(ethylamino)pyrrolidine-1-carbonyl]phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68807615
(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
1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
CID 4052686
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(4-hydroxy-2-oxo-1-pyridinyl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
CID 68808052

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide?
The IUPAC name of (2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide (CID 89155887) is (2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide?
The canonical SMILES for (2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide is CO[C@@H]1C[C@H](I)N(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of (2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide?
The InChIKey is UYIKPPOGKVLRCJ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H14ClIN2O2/c1-18-10-6-11(14)16(7-10)12(17)15-9-4-2-8(13)3-5-9/h2-5,10-11H,6-7H2,1H3,(H,15,17)/t10-,11-/m1/s1.
What are the key properties of (2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide?
(2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide has a molecular weight of 380.61 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(4-chlorophenyl)-2-iodo-4-methoxypyrrolidine-1-carboxamide is sourced from PubChem (CID 89155887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).