N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide

C14H19ClN2O — CID 94799317

IUPACN-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
SMILESCCC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN2O/c1-2-14(18)16-9-11-7-8-17(10-11)13-5-3-12(15)4-6-13/h3-6,11H,2,7-10H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyHYCCRRPGYUFCAI-NSHDSACASA-N
MW266.77 g/mol
LogP2.69
Rot. Bonds4

About N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide

N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide (PubChem CID 94799317) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
PubChem CID94799317
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
SMILESCCC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN2O/c1-2-14(18)16-9-11-7-8-17(10-11)13-5-3-12(15)4-6-13/h3-6,11H,2,7-10H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyHYCCRRPGYUFCAI-NSHDSACASA-N
XLogP2.69
TPSA32.34 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide
CID 94814610
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 110640634
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 47445976
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
N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 94812810
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine-1-carboxamide
CID 166184698
(2S)-1-acetyl-N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 94815509
N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide
CID 110640432
3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide
CID 146130178
N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide
CID 94809660
2-[3-(4-chlorophenyl)pentan-3-ylamino]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 56526680

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide (CID 94799317) is N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide is CCC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide?
The InChIKey is HYCCRRPGYUFCAI-NSHDSACASA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-14(18)16-9-11-7-8-17(10-11)13-5-3-12(15)4-6-13/h3-6,11H,2,7-10H2,1H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide?
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide has a molecular weight of 266.77 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 94799317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).