2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide

C18H18FN5O2 — CID 39224162

IUPAC2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)(C)Oc2ccc(F)cc2)cc1-n1cnnn1
InChIInChI=1S/C18H18FN5O2/c1-12-4-7-14(10-16(12)24-11-20-22-23-24)21-17(25)18(2,3)26-15-8-5-13(19)6-9-15/h4-11H,1-3H3,(H,21,25)
InChIKeyLYAPPZQBEABJKI-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.91
Rot. Bonds5

About 2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide

2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 39224162) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
PubChem CID39224162
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1ccc(NC(=O)C(C)(C)Oc2ccc(F)cc2)cc1-n1cnnn1
InChIInChI=1S/C18H18FN5O2/c1-12-4-7-14(10-16(12)24-11-20-22-23-24)21-17(25)18(2,3)26-15-8-5-13(19)6-9-15/h4-11H,1-3H3,(H,21,25)
InChIKeyLYAPPZQBEABJKI-UHFFFAOYSA-N
XLogP2.91
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1H-pyrazole-4-carboxamide
CID 61260669
1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
2,2-dimethyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 36723262
1-[1-(4-fluorophenyl)cyclopentyl]-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 56519168
2-methyl-2-(methylamino)-N-[3-methyl-4-(tetrazol-1-yl)phenyl]propanamide
CID 62847424
dimethyl 5-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 30855027
4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119720377
2-[2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569427
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide (CID 39224162) is 2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide is Cc1ccc(NC(=O)C(C)(C)Oc2ccc(F)cc2)cc1-n1cnnn1.
What is the InChIKey of 2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is LYAPPZQBEABJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-12-4-7-14(10-16(12)24-11-20-22-23-24)21-17(25)18(2,3)26-15-8-5-13(19)6-9-15/h4-11H,1-3H3,(H,21,25).
What are the key properties of 2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide?
2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 355.37 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 39224162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).