N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide

C14H18ClIN2O — CID 63140297

IUPACN-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(I)cc2Cl)CCNC1
InChIInChI=1S/C14H18ClIN2O/c1-2-5-14(6-7-17-9-14)13(19)18-12-4-3-10(16)8-11(12)15/h3-4,8,17H,2,5-7,9H2,1H3,(H,18,19)
InChIKeyRALVOFPHJAKWDJ-UHFFFAOYSA-N
MW392.67 g/mol
LogP3.66
Rot. Bonds4

About N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide

N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 63140297) has the molecular formula C14H18ClIN2O and a molecular weight of 392.67 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID63140297
Molecular FormulaC14H18ClIN2O
Molecular Weight392.67 g/mol
Exact Mass392.02
IUPAC NameN-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc(I)cc2Cl)CCNC1
InChIInChI=1S/C14H18ClIN2O/c1-2-5-14(6-7-17-9-14)13(19)18-12-4-3-10(16)8-11(12)15/h3-4,8,17H,2,5-7,9H2,1H3,(H,18,19)
InChIKeyRALVOFPHJAKWDJ-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.67
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 63140733
N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide
CID 107625392
5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63143879
N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 81271547
N-(2,3-dichlorophenyl)-3-propylpiperidine-3-carboxamide
CID 63132539
N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140833
N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139068
N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63141186
1-(aminomethyl)-N-(2-chloro-4-iodophenyl)cyclobutane-1-carboxamide
CID 113311601
N-(2-chloro-4-methyl-3-pyridinyl)-3-propylpyrrolidine-3-carboxamide
CID 65488896
N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935
N-(2-chloro-4-fluorophenyl)-4-ethylpiperidine-4-carboxamide
CID 55177203

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide (CID 63140297) is N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2ccc(I)cc2Cl)CCNC1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is RALVOFPHJAKWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClIN2O/c1-2-5-14(6-7-17-9-14)13(19)18-12-4-3-10(16)8-11(12)15/h3-4,8,17H,2,5-7,9H2,1H3,(H,18,19).
What are the key properties of N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide?
N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 392.67 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63140297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).