1-(3-fluorophenyl)-3-[4-[5-(3-methylbutyl)-1,2-dihydrotriazol-3-yl]phenyl]urea

C20H24FN5O — CID 130470977

IUPAC1-(3-fluorophenyl)-3-[4-[5-(3-methylbutyl)-1,2-dihydrotriazol-3-yl]phenyl]urea
SMILESCC(C)CCC1=CN(c2ccc(NC(=O)Nc3cccc(F)c3)cc2)NN1
InChIInChI=1S/C20H24FN5O/c1-14(2)6-7-18-13-26(25-24-18)19-10-8-16(9-11-19)22-20(27)23-17-5-3-4-15(21)12-17/h3-5,8-14,24-25H,6-7H2,1-2H3,(H2,22,23,27)
InChIKeyLETNLNYAAKACHG-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.58
Rot. Bonds6

About 1-(3-fluorophenyl)-3-[4-[5-(3-methylbutyl)-1,2-dihydrotriazol-3-yl]phenyl]urea

1-(3-fluorophenyl)-3-[4-[5-(3-methylbutyl)-1,2-dihydrotriazol-3-yl]phenyl]urea (PubChem CID 130470977) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[4-[5-(3-methylbutyl)-1,2-dihydrotriazol-3-yl]phenyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[4-[5-(3-methylbutyl)-1,2-dihydrotriazol-3-yl]phenyl]urea
PubChem CID130470977
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name1-(3-fluorophenyl)-3-[4-[5-(3-methylbutyl)-1,2-dihydrotriazol-3-yl]phenyl]urea
SMILESCC(C)CCC1=CN(c2ccc(NC(=O)Nc3cccc(F)c3)cc2)NN1
InChIInChI=1S/C20H24FN5O/c1-14(2)6-7-18-13-26(25-24-18)19-10-8-16(9-11-19)22-20(27)23-17-5-3-4-15(21)12-17/h3-5,8-14,24-25H,6-7H2,1-2H3,(H2,22,23,27)
InChIKeyLETNLNYAAKACHG-UHFFFAOYSA-N
XLogP4.58
TPSA68.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-chloro-3-methylisoquinolin-4-yl)-3-[4-[5-(3-methylbutyl)-1,2-dihydrotriazol-3-yl]phenyl]urea
CID 130471154
1-(3-fluorophenyl)-3-(4-sulfanylphenyl)urea
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N-(3-fluorophenyl)-N'-(5-methylhexan-2-yl)oxamide
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1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea
CID 11716200
1-(4-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 43508550
1-(3-aminobutyl)-3-(3-fluorophenyl)urea
CID 63253702
1-(3-fluorophenyl)-3-(2-methylsulfanylpropyl)urea
CID 71844690
1-(3-amino-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 54910981
1-(3-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 727768
1-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)urea
CID 108893983
1-(2-methylphenyl)-3-[4-[5-(morpholin-4-ylmethyl)-1,2-dihydrotriazol-3-yl]phenyl]urea
CID 130471114
N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[4-[5-(3-methylbutyl)-1,2-dihydrotriazol-3-yl]phenyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[4-[5-(3-methylbutyl)-1,2-dihydrotriazol-3-yl]phenyl]urea (CID 130470977) is 1-(3-fluorophenyl)-3-[4-[5-(3-methylbutyl)-1,2-dihydrotriazol-3-yl]phenyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[4-[5-(3-methylbutyl)-1,2-dihydrotriazol-3-yl]phenyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[4-[5-(3-methylbutyl)-1,2-dihydrotriazol-3-yl]phenyl]urea is CC(C)CCC1=CN(c2ccc(NC(=O)Nc3cccc(F)c3)cc2)NN1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[4-[5-(3-methylbutyl)-1,2-dihydrotriazol-3-yl]phenyl]urea?
The InChIKey is LETNLNYAAKACHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c1-14(2)6-7-18-13-26(25-24-18)19-10-8-16(9-11-19)22-20(27)23-17-5-3-4-15(21)12-17/h3-5,8-14,24-25H,6-7H2,1-2H3,(H2,22,23,27).
What are the key properties of 1-(3-fluorophenyl)-3-[4-[5-(3-methylbutyl)-1,2-dihydrotriazol-3-yl]phenyl]urea?
1-(3-fluorophenyl)-3-[4-[5-(3-methylbutyl)-1,2-dihydrotriazol-3-yl]phenyl]urea has a molecular weight of 369.44 g/mol, XLogP of 4.58, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[4-[5-(3-methylbutyl)-1,2-dihydrotriazol-3-yl]phenyl]urea is sourced from PubChem (CID 130470977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).