1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea

C17H17FN6O — CID 86988801

IUPAC1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
SMILESCc1nnnn1-c1cccc(NC(=O)N(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C17H17FN6O/c1-12-20-21-22-24(12)16-8-4-7-15(10-16)19-17(25)23(2)11-13-5-3-6-14(18)9-13/h3-10H,11H2,1-2H3,(H,19,25)
InChIKeyFGLJRLACBNYWNE-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.77
Rot. Bonds4

About 1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea

1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea (PubChem CID 86988801) has the molecular formula C17H17FN6O and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
PubChem CID86988801
Molecular FormulaC17H17FN6O
Molecular Weight340.36 g/mol
Exact Mass340.14
IUPAC Name1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
SMILESCc1nnnn1-c1cccc(NC(=O)N(C)Cc2cccc(F)c2)c1
InChIInChI=1S/C17H17FN6O/c1-12-20-21-22-24(12)16-8-4-7-15(10-16)19-17(25)23(2)11-13-5-3-6-14(18)9-13/h3-10H,11H2,1-2H3,(H,19,25)
InChIKeyFGLJRLACBNYWNE-UHFFFAOYSA-N
XLogP2.77
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 55698026
1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(phenylcarbamoylamino)phenyl]urea
CID 86988170
1-[(3-fluorophenyl)methyl]-1-methyl-3-pyridin-3-ylurea
CID 17403084
1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea
CID 86988690
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 92613812
3-(3,4-dimethoxyphenyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 86986919
1-[4-[methyl-[(4-methylphenyl)methyl]amino]butyl]-3-[3-(5-methyltetrazol-1-yl)phenyl]urea
CID 143448051
1-[(3-fluorophenyl)methyl]-1-methyl-3-(4-methylsulfanylphenyl)urea
CID 86988074
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
3-[3-(1,3-dithiolan-2-yl)phenyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78875031
2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 18717027
2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329417

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea (CID 86988801) is 1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea is Cc1nnnn1-c1cccc(NC(=O)N(C)Cc2cccc(F)c2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea?
The InChIKey is FGLJRLACBNYWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6O/c1-12-20-21-22-24(12)16-8-4-7-15(10-16)19-17(25)23(2)11-13-5-3-6-14(18)9-13/h3-10H,11H2,1-2H3,(H,19,25).
What are the key properties of 1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea?
1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea has a molecular weight of 340.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-1-methyl-3-[3-(5-methyltetrazol-1-yl)phenyl]urea is sourced from PubChem (CID 86988801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).