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

C18H18FN5O3 — CID 7289597

IUPAC(2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccc(OC)c(C[C@@H](C(=O)Nc2ccccc2F)c2nn[nH]n2)c1
InChIInChI=1S/C18H18FN5O3/c1-26-12-7-8-16(27-2)11(9-12)10-13(17-21-23-24-22-17)18(25)20-15-6-4-3-5-14(15)19/h3-9,13H,10H2,1-2H3,(H,20,25)(H,21,22,23,24)/t13-/m1/s1
InChIKeyWWXXWPRILUCXAK-CYBMUJFWSA-N
MW371.37 g/mol
LogP2.32
Rot. Bonds7

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

(2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide (PubChem CID 7289597) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is (2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
PubChem CID7289597
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name(2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
SMILESCOc1ccc(OC)c(C[C@@H](C(=O)Nc2ccccc2F)c2nn[nH]n2)c1
InChIInChI=1S/C18H18FN5O3/c1-26-12-7-8-16(27-2)11(9-12)10-13(17-21-23-24-22-17)18(25)20-15-6-4-3-5-14(15)19/h3-9,13H,10H2,1-2H3,(H,20,25)(H,21,22,23,24)/t13-/m1/s1
InChIKeyWWXXWPRILUCXAK-CYBMUJFWSA-N
XLogP2.32
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-(2,5-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175118
(2S)-3-(2,5-dimethoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175113
(2R)-3-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175120
(2R)-3-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 31100872
3-(2,5-dimethoxyphenyl)-N-(4-ethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3171049
N-(2-ethylphenyl)-3-(2-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 5003416
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3170973
(2R)-N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1174993
(2S)-3-(2,4-dimethoxyphenyl)-N-(3,4-dimethoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175110
(2R)-3-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 1175048
N-(2-fluorophenyl)-3-(4-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 23800637
3-(2,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3694507

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide?
The IUPAC name of (2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide (CID 7289597) is (2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide.
What is the SMILES notation for (2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide?
The canonical SMILES for (2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide is COc1ccc(OC)c(C[C@@H](C(=O)Nc2ccccc2F)c2nn[nH]n2)c1.
What is the InChIKey of (2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide?
The InChIKey is WWXXWPRILUCXAK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18FN5O3/c1-26-12-7-8-16(27-2)11(9-12)10-13(17-21-23-24-22-17)18(25)20-15-6-4-3-5-14(15)19/h3-9,13H,10H2,1-2H3,(H,20,25)(H,21,22,23,24)/t13-/m1/s1.
What are the key properties of (2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide?
(2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide has a molecular weight of 371.37 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,5-dimethoxyphenyl)-N-(2-fluorophenyl)-2-(2H-tetrazol-5-yl)propanamide is sourced from PubChem (CID 7289597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).