(2S,4R)-N-[2-(4-fluorophenyl)ethyl]-1-[(2-prop-2-enoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide

C24H27FN6O2 — CID 26351275

IUPAC(2S,4R)-N-[2-(4-fluorophenyl)ethyl]-1-[(2-prop-2-enoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
SMILESC=CCOc1ccccc1CN1C[C@H](n2cnnn2)C[C@H]1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C24H27FN6O2/c1-2-13-33-23-6-4-3-5-19(23)15-30-16-21(31-17-27-28-29-31)14-22(30)24(32)26-12-11-18-7-9-20(25)10-8-18/h2-10,17,21-22H,1,11-16H2,(H,26,32)/t21-,22+/m1/s1
InChIKeyAQIYOWNYUQBDSJ-YADHBBJMSA-N
MW450.52 g/mol
LogP2.55
Rot. Bonds10

About (2S,4R)-N-[2-(4-fluorophenyl)ethyl]-1-[(2-prop-2-enoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide

(2S,4R)-N-[2-(4-fluorophenyl)ethyl]-1-[(2-prop-2-enoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide (PubChem CID 26351275) has the molecular formula C24H27FN6O2 and a molecular weight of 450.52 g/mol. Its IUPAC name is (2S,4R)-N-[2-(4-fluorophenyl)ethyl]-1-[(2-prop-2-enoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-[2-(4-fluorophenyl)ethyl]-1-[(2-prop-2-enoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
PubChem CID26351275
Molecular FormulaC24H27FN6O2
Molecular Weight450.52 g/mol
Exact Mass450.22
IUPAC Name(2S,4R)-N-[2-(4-fluorophenyl)ethyl]-1-[(2-prop-2-enoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide
SMILESC=CCOc1ccccc1CN1C[C@H](n2cnnn2)C[C@H]1C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C24H27FN6O2/c1-2-13-33-23-6-4-3-5-19(23)15-30-16-21(31-17-27-28-29-31)14-22(30)24(32)26-12-11-18-7-9-20(25)10-8-18/h2-10,17,21-22H,1,11-16H2,(H,26,32)/t21-,22+/m1/s1
InChIKeyAQIYOWNYUQBDSJ-YADHBBJMSA-N
XLogP2.55
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,4R)-N-[2-(4-fluorophenyl)ethyl]-1-[(2-prop-2-enoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 56782972
(4S)-1-(2-ethoxybenzyl)-N-(4-methylbenzyl)-4-(1H-tetrazol-1-yl)-L-prolinamide
CID 26322152
(4S)-1-[4-(benzyloxy)benzyl]-N-(4-methylbenzyl)-4-(1H-tetrazol-1-yl)-L-prolinamide
CID 26322330
N-[2-[(2S)-2-butyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2-(tetrazol-1-yl)acetamide
CID 42246587
(4S)-1-(cyclohexylmethyl)-N-[2-(2-methoxyphenyl)ethyl]-4-(1H-tetrazol-1-yl)-L-prolinamide
CID 42348670
(4S)-1-(3-methoxybenzyl)-N-(4-methylbenzyl)-4-(1H-tetrazol-1-yl)-L-prolinamide
CID 42500560
(4S)-1-[2-(allyloxy)benzyl]-N-(4-methylbenzyl)-4-(1H-tetrazol-1-yl)-L-prolinamide
CID 42538282
N-{2-[2-(2-fluorophenyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]ethyl}-4-(1H-1,2,4-triazol-1-yl)butanamide
CID 45205078
2-(5-aminotetrazol-1-yl)-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]acetamide
CID 125155343
1-[(2S,4S)-4-[(benzylamino)methyl]-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidin-2-yl]-2-[4-(4-fluorophenoxy)phenyl]ethanone
CID 58522940
1-[(2S,4S)-4-(benzylamino)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidin-2-yl]-2-[4-(4-fluorophenoxy)phenyl]ethanone
CID 58523010
1-[(2S,4R)-4-(benzylamino)-1-[2-(1,2,4-triazol-1-yl)acetyl]pyrrolidin-2-yl]-2-[4-(4-fluorophenoxy)phenyl]ethanone
CID 58523134

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[2-(4-fluorophenyl)ethyl]-1-[(2-prop-2-enoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-[2-(4-fluorophenyl)ethyl]-1-[(2-prop-2-enoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide (CID 26351275) is (2S,4R)-N-[2-(4-fluorophenyl)ethyl]-1-[(2-prop-2-enoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-[2-(4-fluorophenyl)ethyl]-1-[(2-prop-2-enoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-[2-(4-fluorophenyl)ethyl]-1-[(2-prop-2-enoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide is C=CCOc1ccccc1CN1C[C@H](n2cnnn2)C[C@H]1C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of (2S,4R)-N-[2-(4-fluorophenyl)ethyl]-1-[(2-prop-2-enoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
The InChIKey is AQIYOWNYUQBDSJ-YADHBBJMSA-N. The full InChI is InChI=1S/C24H27FN6O2/c1-2-13-33-23-6-4-3-5-19(23)15-30-16-21(31-17-27-28-29-31)14-22(30)24(32)26-12-11-18-7-9-20(25)10-8-18/h2-10,17,21-22H,1,11-16H2,(H,26,32)/t21-,22+/m1/s1.
What are the key properties of (2S,4R)-N-[2-(4-fluorophenyl)ethyl]-1-[(2-prop-2-enoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide?
(2S,4R)-N-[2-(4-fluorophenyl)ethyl]-1-[(2-prop-2-enoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 2.55, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-[2-(4-fluorophenyl)ethyl]-1-[(2-prop-2-enoxyphenyl)methyl]-4-(tetrazol-1-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 26351275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).