N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide

C21H25ClN2O — CID 112506817

IUPACN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C21H25ClN2O/c22-19-10-6-9-18(15-19)20(24-13-4-5-14-24)16-23-21(25)12-11-17-7-2-1-3-8-17/h1-3,6-10,15,20H,4-5,11-14,16H2,(H,23,25)
InChIKeyHPPAJPIMDVLHFD-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.23
Rot. Bonds7

About N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide (PubChem CID 112506817) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
PubChem CID112506817
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C21H25ClN2O/c22-19-10-6-9-18(15-19)20(24-13-4-5-14-24)16-23-21(25)12-11-17-7-2-1-3-8-17/h1-3,6-10,15,20H,4-5,11-14,16H2,(H,23,25)
InChIKeyHPPAJPIMDVLHFD-UHFFFAOYSA-N
XLogP4.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 56514738
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506628
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 42457175
N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-(4-hydroxyphenyl)propanamide
CID 124846032
2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide
CID 60563659
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 55658747
N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide
CID 51947652
3-(4-cyanophenyl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 134024332
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(4-fluorophenoxy)propanamide
CID 55674436
3-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 51334262
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide (CID 112506817) is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCC(c1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide?
The InChIKey is HPPAJPIMDVLHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c22-19-10-6-9-18(15-19)20(24-13-4-5-14-24)16-23-21(25)12-11-17-7-2-1-3-8-17/h1-3,6-10,15,20H,4-5,11-14,16H2,(H,23,25).
What are the key properties of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide?
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide has a molecular weight of 356.90 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide is sourced from PubChem (CID 112506817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).