3-(4-phenylphenyl)-N-[2-(2H-tetrazol-5-yl)cyclopenten-1-yl]propanamide

C21H21N5O — CID 15986932

IUPAC3-(4-phenylphenyl)-N-[2-(2H-tetrazol-5-yl)cyclopenten-1-yl]propanamide
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)NC1=C(c2nn[nH]n2)CCC1
InChIInChI=1S/C21H21N5O/c27-20(22-19-8-4-7-18(19)21-23-25-26-24-21)14-11-15-9-12-17(13-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-10,12-13H,4,7-8,11,14H2,(H,22,27)(H,23,24,25,26)
InChIKeyZXSWLLQEGLHIQO-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.51
Rot. Bonds6

About 3-(4-phenylphenyl)-N-[2-(2H-tetrazol-5-yl)cyclopenten-1-yl]propanamide

3-(4-phenylphenyl)-N-[2-(2H-tetrazol-5-yl)cyclopenten-1-yl]propanamide (PubChem CID 15986932) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(4-phenylphenyl)-N-[2-(2H-tetrazol-5-yl)cyclopenten-1-yl]propanamide.

Molecular Properties

Compound Name3-(4-phenylphenyl)-N-[2-(2H-tetrazol-5-yl)cyclopenten-1-yl]propanamide
PubChem CID15986932
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name3-(4-phenylphenyl)-N-[2-(2H-tetrazol-5-yl)cyclopenten-1-yl]propanamide
SMILESO=C(CCc1ccc(-c2ccccc2)cc1)NC1=C(c2nn[nH]n2)CCC1
InChIInChI=1S/C21H21N5O/c27-20(22-19-8-4-7-18(19)21-23-25-26-24-21)14-11-15-9-12-17(13-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-10,12-13H,4,7-8,11,14H2,(H,22,27)(H,23,24,25,26)
InChIKeyZXSWLLQEGLHIQO-UHFFFAOYSA-N
XLogP3.51
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-phenylphenyl)-1-[5-[6-(2H-tetrazol-5-yl)-2-pyridinyl]-1,3-oxazol-2-yl]propan-1-one
CID 24799306
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
N-carbamoyl-3-(4-phenylphenyl)propanamide
CID 173148177
N-(4-phenylphenyl)-4-(2H-tetrazol-5-yl)benzamide
CID 25487596
N-methoxy-3-(4-phenylphenyl)propanamide
CID 144913609
N'-methyl-3-(4-phenylphenyl)propanehydrazide
CID 116846347
5-[4-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]phenyl]-2H-tetrazole
CID 15279617
3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 110720294
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220711
N-[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]-3-phenylpropanamide
CID 69044242

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)-N-[2-(2H-tetrazol-5-yl)cyclopenten-1-yl]propanamide?
The IUPAC name of 3-(4-phenylphenyl)-N-[2-(2H-tetrazol-5-yl)cyclopenten-1-yl]propanamide (CID 15986932) is 3-(4-phenylphenyl)-N-[2-(2H-tetrazol-5-yl)cyclopenten-1-yl]propanamide.
What is the SMILES notation for 3-(4-phenylphenyl)-N-[2-(2H-tetrazol-5-yl)cyclopenten-1-yl]propanamide?
The canonical SMILES for 3-(4-phenylphenyl)-N-[2-(2H-tetrazol-5-yl)cyclopenten-1-yl]propanamide is O=C(CCc1ccc(-c2ccccc2)cc1)NC1=C(c2nn[nH]n2)CCC1.
What is the InChIKey of 3-(4-phenylphenyl)-N-[2-(2H-tetrazol-5-yl)cyclopenten-1-yl]propanamide?
The InChIKey is ZXSWLLQEGLHIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c27-20(22-19-8-4-7-18(19)21-23-25-26-24-21)14-11-15-9-12-17(13-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-10,12-13H,4,7-8,11,14H2,(H,22,27)(H,23,24,25,26).
What are the key properties of 3-(4-phenylphenyl)-N-[2-(2H-tetrazol-5-yl)cyclopenten-1-yl]propanamide?
3-(4-phenylphenyl)-N-[2-(2H-tetrazol-5-yl)cyclopenten-1-yl]propanamide has a molecular weight of 359.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)-N-[2-(2H-tetrazol-5-yl)cyclopenten-1-yl]propanamide is sourced from PubChem (CID 15986932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).