(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide

C19H20FN5O — CID 51874898

IUPAC(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
SMILESCc1ccc(-c2nnn([C@H](C)C(=O)N(C)Cc3cccc(F)c3)n2)cc1
InChIInChI=1S/C19H20FN5O/c1-13-7-9-16(10-8-13)18-21-23-25(22-18)14(2)19(26)24(3)12-15-5-4-6-17(20)11-15/h4-11,14H,12H2,1-3H3/t14-/m1/s1
InChIKeyUDAQFYJXOGIWIB-CQSZACIVSA-N
MW353.40 g/mol
LogP3.01
Rot. Bonds5

About (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide

(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide (PubChem CID 51874898) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
PubChem CID51874898
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide
SMILESCc1ccc(-c2nnn([C@H](C)C(=O)N(C)Cc3cccc(F)c3)n2)cc1
InChIInChI=1S/C19H20FN5O/c1-13-7-9-16(10-8-13)18-21-23-25(22-18)14(2)19(26)24(3)12-15-5-4-6-17(20)11-15/h4-11,14H,12H2,1-3H3/t14-/m1/s1
InChIKeyUDAQFYJXOGIWIB-CQSZACIVSA-N
XLogP3.01
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 46508539
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
2-[ethyl(methyl)amino]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 60516816
1-(4-ethylphenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]propan-1-one
CID 42981745
(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 96561738
N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 46662860
N-[(3-fluorophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpropanamide
CID 111332559
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[(3-methylphenyl)methylsulfonyl]propanamide
CID 51954078
2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43028353
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119657176
2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86985470

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
The IUPAC name of (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide (CID 51874898) is (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide.
What is the SMILES notation for (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
The canonical SMILES for (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide is Cc1ccc(-c2nnn([C@H](C)C(=O)N(C)Cc3cccc(F)c3)n2)cc1.
What is the InChIKey of (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
The InChIKey is UDAQFYJXOGIWIB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-13-7-9-16(10-8-13)18-21-23-25(22-18)14(2)19(26)24(3)12-15-5-4-6-17(20)11-15/h4-11,14H,12H2,1-3H3/t14-/m1/s1.
What are the key properties of (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide?
(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide has a molecular weight of 353.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]propanamide is sourced from PubChem (CID 51874898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).