N-(2-chloro-4-iodophenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide

C18H18ClIN2O — CID 56556713

IUPACN-(2-chloro-4-iodophenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1ccc(I)cc1Cl)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C18H18ClIN2O/c19-15-12-14(20)8-9-16(15)21-18(23)17(22-10-4-5-11-22)13-6-2-1-3-7-13/h1-3,6-9,12,17H,4-5,10-11H2,(H,21,23)
InChIKeyZFUXSLWUUKPKFX-UHFFFAOYSA-N
MW440.71 g/mol
LogP4.72
Rot. Bonds4

About N-(2-chloro-4-iodophenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide

N-(2-chloro-4-iodophenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide (PubChem CID 56556713) has the molecular formula C18H18ClIN2O and a molecular weight of 440.71 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
PubChem CID56556713
Molecular FormulaC18H18ClIN2O
Molecular Weight440.71 g/mol
Exact Mass440.02
IUPAC NameN-(2-chloro-4-iodophenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1ccc(I)cc1Cl)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C18H18ClIN2O/c19-15-12-14(20)8-9-16(15)21-18(23)17(22-10-4-5-11-22)13-6-2-1-3-7-13/h1-3,6-9,12,17H,4-5,10-11H2,(H,21,23)
InChIKeyZFUXSLWUUKPKFX-UHFFFAOYSA-N
XLogP4.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.71
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(2-chloro-4-iodophenyl)-2-phenylacetamide
CID 61180487
(2S)-N-(3,5-dichlorophenyl)-2-phenyl-2-piperidin-1-ylacetamide
CID 2563626
3-amino-N-(2-chloro-4-iodophenyl)-2-phenyl-3-sulfanylidenepropanamide
CID 107605681
2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 3520877
(2S)-N-methyl-2-phenyl-2-piperidin-1-ylacetamide
CID 67962694
N-(2-fluoro-5-pyrrol-1-ylphenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 56556711
N-(2-chlorophenyl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 52992841
2-chloro-N,N-diethyl-4-[(2-phenyl-2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 51135599
4-benzoyl-N-(2-chloro-4-iodophenyl)-1,4-diazepane-1-carboxamide
CID 112825618
1-(2-chloro-4-iodophenyl)-3-propan-2-ylurea
CID 47202224
2-bromo-N-(2-chloro-4-iodophenyl)propanamide
CID 107903978
2-[2-(2-chloro-4-iodoanilino)-2-oxoethyl]benzoic acid
CID 104601404

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide (CID 56556713) is N-(2-chloro-4-iodophenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide is O=C(Nc1ccc(I)cc1Cl)C(c1ccccc1)N1CCCC1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is ZFUXSLWUUKPKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClIN2O/c19-15-12-14(20)8-9-16(15)21-18(23)17(22-10-4-5-11-22)13-6-2-1-3-7-13/h1-3,6-9,12,17H,4-5,10-11H2,(H,21,23).
What are the key properties of N-(2-chloro-4-iodophenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide?
N-(2-chloro-4-iodophenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 440.71 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-2-phenyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 56556713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).