1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea

C18H19FN6O2 — CID 55698026

IUPAC1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
SMILESCc1nnnn1-c1cccc(NC(=O)N(C)CCOc2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN6O2/c1-13-21-22-23-25(13)16-5-3-4-15(12-16)20-18(26)24(2)10-11-27-17-8-6-14(19)7-9-17/h3-9,12H,10-11H2,1-2H3,(H,20,26)
InChIKeyHSRJYBPIGCVBNB-UHFFFAOYSA-N
MW370.39 g/mol
LogP2.65
Rot. Bonds6

About 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea

1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea (PubChem CID 55698026) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
PubChem CID55698026
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC Name1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
SMILESCc1nnnn1-c1cccc(NC(=O)N(C)CCOc2ccc(F)cc2)c1
InChIInChI=1S/C18H19FN6O2/c1-13-21-22-23-25(13)16-5-3-4-15(12-16)20-18(26)24(2)10-11-27-17-8-6-14(19)7-9-17/h3-9,12H,10-11H2,1-2H3,(H,20,26)
InChIKeyHSRJYBPIGCVBNB-UHFFFAOYSA-N
XLogP2.65
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 86988801
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 92613812
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 55677152
1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(pyridin-2-ylsulfanylmethyl)phenyl]urea
CID 56554634
phenyl N-[3-(5-methyltetrazol-1-yl)phenyl]carbamate
CID 69112128
1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-(3-methyl-4-nitrophenyl)urea
CID 112839901
2-[3,5-bis(trifluoromethyl)phenoxy]-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 78864201
1-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 55697871
1-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(3-pyrrol-1-ylphenyl)urea
CID 56505146
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43701560

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea (CID 55698026) is 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea is Cc1nnnn1-c1cccc(NC(=O)N(C)CCOc2ccc(F)cc2)c1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea?
The InChIKey is HSRJYBPIGCVBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2/c1-13-21-22-23-25(13)16-5-3-4-15(12-16)20-18(26)24(2)10-11-27-17-8-6-14(19)7-9-17/h3-9,12H,10-11H2,1-2H3,(H,20,26).
What are the key properties of 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea?
1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea has a molecular weight of 370.39 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 55698026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).