N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide

C17H25ClN2O — CID 110640634

IUPACN-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O/c1-3-14(4-2)17(21)19-11-13-9-10-20(12-13)16-7-5-15(18)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyVLTVPWQELSQGPB-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.72
Rot. Bonds6

About N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide

N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide (PubChem CID 110640634) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide
PubChem CID110640634
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCC1CCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O/c1-3-14(4-2)17(21)19-11-13-9-10-20(12-13)16-7-5-15(18)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyVLTVPWQELSQGPB-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 47445976
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylpiperidine-1-carboxamide
CID 166217219
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 51094994
N-[2-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methylamino]-2-oxoethyl]butanamide
CID 94814610
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylbutanamide
CID 16918798
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-4,4-dimethylpiperidine-1-carboxamide
CID 166184698
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-propan-2-yloxypropanamide
CID 51094737
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylsulfonylbenzamide
CID 136579315
3-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methylcarbamoylamino]-N-ethyl-2,2-dimethylpropanamide
CID 146130178
1-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-[(3S)-1-methylpiperidin-3-yl]urea
CID 95140290
(2S)-1-acetyl-N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 94815509

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide?
The IUPAC name of N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide (CID 110640634) is N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide is CCC(CC)C(=O)NCC1CCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide?
The InChIKey is VLTVPWQELSQGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-14(4-2)17(21)19-11-13-9-10-20(12-13)16-7-5-15(18)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,19,21).
What are the key properties of N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide?
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide has a molecular weight of 308.85 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-ethylbutanamide is sourced from PubChem (CID 110640634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).