3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide

C14H17Cl3N2O — CID 63140733

IUPAC3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCNC1
InChIInChI=1S/C14H17Cl3N2O/c1-2-3-14(4-5-18-8-14)13(20)19-12-7-10(16)9(15)6-11(12)17/h6-7,18H,2-5,8H2,1H3,(H,19,20)
InChIKeyCMAQPQJFJCQJQP-UHFFFAOYSA-N
MW335.66 g/mol
LogP4.37
Rot. Bonds4

About 3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide

3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide (PubChem CID 63140733) has the molecular formula C14H17Cl3N2O and a molecular weight of 335.66 g/mol. Its IUPAC name is 3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
PubChem CID63140733
Molecular FormulaC14H17Cl3N2O
Molecular Weight335.66 g/mol
Exact Mass334.04
IUPAC Name3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCNC1
InChIInChI=1S/C14H17Cl3N2O/c1-2-3-14(4-5-18-8-14)13(20)19-12-7-10(16)9(15)6-11(12)17/h6-7,18H,2-5,8H2,1H3,(H,19,20)
InChIKeyCMAQPQJFJCQJQP-UHFFFAOYSA-N
XLogP4.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.66
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140297
N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 81271547
5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63143879
N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140833
N-(3-carbamoyl-4-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139068
N-(2,3-dichlorophenyl)-3-propylpiperidine-3-carboxamide
CID 63132539
N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
CID 63138339
N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide
CID 107625392
N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63141186
N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935
N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63142369
N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937

Frequently Asked Questions

What is the IUPAC name of 3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide (CID 63140733) is 3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CCNC1.
What is the InChIKey of 3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide?
The InChIKey is CMAQPQJFJCQJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3N2O/c1-2-3-14(4-5-18-8-14)13(20)19-12-7-10(16)9(15)6-11(12)17/h6-7,18H,2-5,8H2,1H3,(H,19,20).
What are the key properties of 3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide?
3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide has a molecular weight of 335.66 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63140733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).