3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanamide

C14H19ClN2O — CID 83981421

IUPAC3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
SMILESCC(CC1CCN(c2ccc(Cl)cc2)C1)C(N)=O
InChIInChI=1S/C14H19ClN2O/c1-10(14(16)18)8-11-6-7-17(9-11)13-4-2-12(15)3-5-13/h2-5,10-11H,6-9H2,1H3,(H2,16,18)
InChIKeyZJUNQKRFYURZKX-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.68
Rot. Bonds4

About 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanamide

3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanamide (PubChem CID 83981421) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
PubChem CID83981421
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
SMILESCC(CC1CCN(c2ccc(Cl)cc2)C1)C(N)=O
InChIInChI=1S/C14H19ClN2O/c1-10(14(16)18)8-11-6-7-17(9-11)13-4-2-12(15)3-5-13/h2-5,10-11H,6-9H2,1H3,(H2,16,18)
InChIKeyZJUNQKRFYURZKX-UHFFFAOYSA-N
XLogP2.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83981420
3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine
CID 83981422
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]butan-2-amine
CID 83981425
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 47445976
tert-butyl N-[1-[1-(4-chlorophenyl)pyrrolidin-3-yl]propan-2-yl]carbamate
CID 83981438
methyl 3-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83982053
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 110640634
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 166217219
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide
CID 51094737
3-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid
CID 83981643

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanamide?
The IUPAC name of 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanamide (CID 83981421) is 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanamide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanamide?
The canonical SMILES for 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanamide is CC(CC1CCN(c2ccc(Cl)cc2)C1)C(N)=O.
What is the InChIKey of 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanamide?
The InChIKey is ZJUNQKRFYURZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10(14(16)18)8-11-6-7-17(9-11)13-4-2-12(15)3-5-13/h2-5,10-11H,6-9H2,1H3,(H2,16,18).
What are the key properties of 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanamide?
3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanamide has a molecular weight of 266.77 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 83981421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).