N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide

C16H23ClN2O — CID 63139872

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)Cc2cccc(Cl)c2)CCNC1
InChIInChI=1S/C16H23ClN2O/c1-3-7-16(8-9-18-12-16)15(20)19(2)11-13-5-4-6-14(17)10-13/h4-6,10,18H,3,7-9,11-12H2,1-2H3
InChIKeyUSJSWLIVUNDGOK-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.08
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide

N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide (PubChem CID 63139872) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
PubChem CID63139872
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(C)Cc2cccc(Cl)c2)CCNC1
InChIInChI=1S/C16H23ClN2O/c1-3-7-16(8-9-18-12-16)15(20)19(2)11-13-5-4-6-14(17)10-13/h4-6,10,18H,3,7-9,11-12H2,1-2H3
InChIKeyUSJSWLIVUNDGOK-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 55164556
N-[(4-chlorophenyl)methyl]-3-ethyl-N-methylpyrrolidine-3-carboxamide
CID 63140326
N-[(2-hydroxyphenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143991
N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127551
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918657
N-[(4-bromophenyl)methyl]-N-methyl-3-propylpiperidine-3-carboxamide
CID 63130856
N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpiperidine-4-carboxamide
CID 63122209
N-[(3-bromophenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143655
N-[(4-fluorophenyl)methyl]-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128063
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81372776
4,5-dichloro-N-[(3-chlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 86915193
N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63143386

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide (CID 63139872) is N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)N(C)Cc2cccc(Cl)c2)CCNC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide?
The InChIKey is USJSWLIVUNDGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-7-16(8-9-18-12-16)15(20)19(2)11-13-5-4-6-14(17)10-13/h4-6,10,18H,3,7-9,11-12H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63139872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).