(2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide

C17H16FN5O — CID 862517

IUPAC(2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCc1cccc(C[C@@H](C(=O)Nc2ccccc2F)c2nn[nH]n2)c1
InChIInChI=1S/C17H16FN5O/c1-11-5-4-6-12(9-11)10-13(16-20-22-23-21-16)17(24)19-15-8-3-2-7-14(15)18/h2-9,13H,10H2,1H3,(H,19,24)(H,20,21,22,23)/t13-/m1/s1
InChIKeyVCTFQSVTCYHRMA-CYBMUJFWSA-N
MW325.35 g/mol
LogP2.61
Rot. Bonds5

About (2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide

(2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 862517) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is (2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID862517
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name(2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCc1cccc(C[C@@H](C(=O)Nc2ccccc2F)c2nn[nH]n2)c1
InChIInChI=1S/C17H16FN5O/c1-11-5-4-6-12(9-11)10-13(16-20-22-23-21-16)17(24)19-15-8-3-2-7-14(15)18/h2-9,13H,10H2,1H3,(H,19,24)(H,20,21,22,23)/t13-/m1/s1
InChIKeyVCTFQSVTCYHRMA-CYBMUJFWSA-N
XLogP2.61
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-ethylphenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862515
3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
CID 3170996
N-(2-fluorophenyl)-3-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 23800637
(2R)-3-(3-methylphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862525
(2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 7289597
N-(2,5-dimethylphenyl)-3-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171021
(2S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862483
(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862468
(2R)-N-(2-fluorophenyl)-2-[(S)-(3-methylphenyl)methylsulfinyl]propanamide
CID 95169183
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3170973
3-phenyl-2-(2H-tetrazol-5-yl)-N-(2,4,6-trimethoxyphenyl)propanamide
CID 70114803
(2S)-3-(4-ethylphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862574

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of (2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 862517) is (2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for (2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for (2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide is Cc1cccc(C[C@@H](C(=O)Nc2ccccc2F)c2nn[nH]n2)c1.
What is the InChIKey of (2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is VCTFQSVTCYHRMA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-11-5-4-6-12(9-11)10-13(16-20-22-23-21-16)17(24)19-15-8-3-2-7-14(15)18/h2-9,13H,10H2,1H3,(H,19,24)(H,20,21,22,23)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide?
(2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 325.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluorophenyl)-3-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 862517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).