1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea

C18H19FN6O2 — CID 18566113

IUPAC1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCc2nnnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN6O2/c1-27-16-8-2-13(3-9-16)10-11-20-18(26)21-12-17-22-23-24-25(17)15-6-4-14(19)5-7-15/h2-9H,10-12H2,1H3,(H2,20,21,26)
InChIKeyTVGYBTSBYKVDFH-UHFFFAOYSA-N
MW370.39 g/mol
LogP1.85
Rot. Bonds7

About 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea

1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 18566113) has the molecular formula C18H19FN6O2 and a molecular weight of 370.39 g/mol. Its IUPAC name is 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID18566113
Molecular FormulaC18H19FN6O2
Molecular Weight370.39 g/mol
Exact Mass370.16
IUPAC Name1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCc2nnnn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FN6O2/c1-27-16-8-2-13(3-9-16)10-11-20-18(26)21-12-17-22-23-24-25(17)15-6-4-14(19)5-7-15/h2-9H,10-12H2,1H3,(H2,20,21,26)
InChIKeyTVGYBTSBYKVDFH-UHFFFAOYSA-N
XLogP1.85
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxyphenyl)-3-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]urea
CID 18565917
N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 27451445
N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 22579866
1-[2-(4-fluorophenyl)ethyl]-3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]urea
CID 39977337
(Z)-N-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]but-2-enamide
CID 18565795
1-[(3-fluorophenyl)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108898465
1-[1-(4-methoxyphenyl)tetrazol-5-yl]propan-2-one
CID 166338434
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
N-[2-(4-fluorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022421
N-[2-(4-methoxyphenyl)ethyl]-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 30858611
1-[2-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3856338
1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-thiophen-2-ylurea
CID 16799339

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea (CID 18566113) is 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)NCc2nnnn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is TVGYBTSBYKVDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN6O2/c1-27-16-8-2-13(3-9-16)10-11-20-18(26)21-12-17-22-23-24-25(17)15-6-4-14(19)5-7-15/h2-9H,10-12H2,1H3,(H2,20,21,26).
What are the key properties of 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 370.39 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 18566113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).