N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride

C16H24Cl2N2O — CID 119769495

IUPACN-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCCC(CC)(NC(=O)C1CCNC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-3-16(4-2,13-5-7-14(17)8-6-13)19-15(20)12-9-10-18-11-12;/h5-8,12,18H,3-4,9-11H2,1-2H3,(H,19,20);1H
InChIKeyLNRPBANEAZIORY-UHFFFAOYSA-N
MW331.29 g/mol
LogP3.50
Rot. Bonds5

About N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride

N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119769495) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119769495
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC NameN-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCCC(CC)(NC(=O)C1CCNC1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H23ClN2O.ClH/c1-3-16(4-2,13-5-7-14(17)8-6-13)19-15(20)12-9-10-18-11-12;/h5-8,12,18H,3-4,9-11H2,1-2H3,(H,19,20);1H
InChIKeyLNRPBANEAZIORY-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide
CID 119315399
(2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide
CID 120630325
(3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide
CID 97310475
(2S)-N-[3-(4-chlorophenyl)pentan-3-yl]-5-oxopyrrolidine-2-carboxamide
CID 95331327
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 94915342
N-[3-(4-chlorophenyl)pentan-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405560
N-[2-(3,4-difluorophenyl)propan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119338110
N-(1,1-diphenylethyl)pyrrolidine-3-carboxamide
CID 119774474
2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120554452
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119318158

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride (CID 119769495) is N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride is CCC(CC)(NC(=O)C1CCNC1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is LNRPBANEAZIORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O.ClH/c1-3-16(4-2,13-5-7-14(17)8-6-13)19-15(20)12-9-10-18-11-12;/h5-8,12,18H,3-4,9-11H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride?
N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 331.29 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119769495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).