1-cyclohexyl-3-(2,4-difluorophenyl)-1-(2-dodecyltetrazol-5-yl)urea

C26H40F2N6O — CID 18957141

IUPAC1-cyclohexyl-3-(2,4-difluorophenyl)-1-(2-dodecyltetrazol-5-yl)urea
SMILESCCCCCCCCCCCCn1nnc(N(C(=O)Nc2ccc(F)cc2F)C2CCCCC2)n1
InChIInChI=1S/C26H40F2N6O/c1-2-3-4-5-6-7-8-9-10-14-19-33-31-25(30-32-33)34(22-15-12-11-13-16-22)26(35)29-24-18-17-21(27)20-23(24)28/h17-18,20,22H,2-16,19H2,1H3,(H,29,35)
InChIKeyUNTZJMFBNNDNIU-UHFFFAOYSA-N
MW490.64 g/mol
LogP7.24
Rot. Bonds14

About 1-cyclohexyl-3-(2,4-difluorophenyl)-1-(2-dodecyltetrazol-5-yl)urea

1-cyclohexyl-3-(2,4-difluorophenyl)-1-(2-dodecyltetrazol-5-yl)urea (PubChem CID 18957141) has the molecular formula C26H40F2N6O and a molecular weight of 490.64 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,4-difluorophenyl)-1-(2-dodecyltetrazol-5-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,4-difluorophenyl)-1-(2-dodecyltetrazol-5-yl)urea
PubChem CID18957141
Molecular FormulaC26H40F2N6O
Molecular Weight490.64 g/mol
Exact Mass490.32
IUPAC Name1-cyclohexyl-3-(2,4-difluorophenyl)-1-(2-dodecyltetrazol-5-yl)urea
SMILESCCCCCCCCCCCCn1nnc(N(C(=O)Nc2ccc(F)cc2F)C2CCCCC2)n1
InChIInChI=1S/C26H40F2N6O/c1-2-3-4-5-6-7-8-9-10-14-19-33-31-25(30-32-33)34(22-15-12-11-13-16-22)26(35)29-24-18-17-21(27)20-23(24)28/h17-18,20,22H,2-16,19H2,1H3,(H,29,35)
InChIKeyUNTZJMFBNNDNIU-UHFFFAOYSA-N
XLogP7.24
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.64
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-difluorophenyl)-1-(2-dodecyltetrazol-5-yl)-1-phenylurea
CID 15230638
N'-cyclohexyl-N-(2,4-difluorophenyl)-N'-methyloxamide
CID 108503869
3-(2,4-difluorophenyl)-1-ethyl-1-piperidin-4-ylurea
CID 60805584
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoyl-propylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3972371
1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 42695569
N-(2,4-difluorophenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 22197954
3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea
CID 60800156
1-butyl-3-(2,4-difluorophenyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]urea
CID 151280173
2-[cyclopentyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113148994
N-(1-butylpiperidin-4-yl)-N'-(2,4-difluorophenyl)oxamide
CID 56806715
1-(2,4-difluorophenyl)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]urea
CID 27235394

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,4-difluorophenyl)-1-(2-dodecyltetrazol-5-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(2,4-difluorophenyl)-1-(2-dodecyltetrazol-5-yl)urea (CID 18957141) is 1-cyclohexyl-3-(2,4-difluorophenyl)-1-(2-dodecyltetrazol-5-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2,4-difluorophenyl)-1-(2-dodecyltetrazol-5-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2,4-difluorophenyl)-1-(2-dodecyltetrazol-5-yl)urea is CCCCCCCCCCCCn1nnc(N(C(=O)Nc2ccc(F)cc2F)C2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-(2,4-difluorophenyl)-1-(2-dodecyltetrazol-5-yl)urea?
The InChIKey is UNTZJMFBNNDNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40F2N6O/c1-2-3-4-5-6-7-8-9-10-14-19-33-31-25(30-32-33)34(22-15-12-11-13-16-22)26(35)29-24-18-17-21(27)20-23(24)28/h17-18,20,22H,2-16,19H2,1H3,(H,29,35).
What are the key properties of 1-cyclohexyl-3-(2,4-difluorophenyl)-1-(2-dodecyltetrazol-5-yl)urea?
1-cyclohexyl-3-(2,4-difluorophenyl)-1-(2-dodecyltetrazol-5-yl)urea has a molecular weight of 490.64 g/mol, XLogP of 7.24, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,4-difluorophenyl)-1-(2-dodecyltetrazol-5-yl)urea is sourced from PubChem (CID 18957141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).