N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide

C15H21ClN2O2 — CID 63140833

IUPACN-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cc(Cl)ccc2OC)CCNC1
InChIInChI=1S/C15H21ClN2O2/c1-3-6-15(7-8-17-10-15)14(19)18-12-9-11(16)4-5-13(12)20-2/h4-5,9,17H,3,6-8,10H2,1-2H3,(H,18,19)
InChIKeyVKXFWXSUTJGCLE-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.07
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 63140833) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID63140833
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cc(Cl)ccc2OC)CCNC1
InChIInChI=1S/C15H21ClN2O2/c1-3-6-15(7-8-17-10-15)14(19)18-12-9-11(16)4-5-13(12)20-2/h4-5,9,17H,3,6-8,10H2,1-2H3,(H,18,19)
InChIKeyVKXFWXSUTJGCLE-UHFFFAOYSA-N
XLogP3.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63142369
N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
CID 81271547
N-(5-chloro-2-methoxyphenyl)-4-methylpiperidine-4-carboxamide
CID 55179477
5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63143879
N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63141186
N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide
CID 107625392
3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 63140733
N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140297
1-N'-butan-2-yl-1-N-(5-chloro-2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971485
N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130400
N-(4-chlorophenyl)-4-propylpiperidine-4-carboxamide
CID 63127290
3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 63132688

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide (CID 63140833) is N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2cc(Cl)ccc2OC)CCNC1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is VKXFWXSUTJGCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-6-15(7-8-17-10-15)14(19)18-12-9-11(16)4-5-13(12)20-2/h4-5,9,17H,3,6-8,10H2,1-2H3,(H,18,19).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63140833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).