1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-methylcyclohexyl)urea

C16H21FN2O — CID 108906234

IUPAC1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(=O)N/C=C/c1cccc(F)c1
InChIInChI=1S/C16H21FN2O/c1-12-5-2-3-8-15(12)19-16(20)18-10-9-13-6-4-7-14(17)11-13/h4,6-7,9-12,15H,2-3,5,8H2,1H3,(H2,18,19,20)/b10-9+
InChIKeyRNSVXBCNHUHAEH-MDZDMXLPSA-N
MW276.35 g/mol
LogP3.67
Rot. Bonds3

About 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-methylcyclohexyl)urea

1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-methylcyclohexyl)urea (PubChem CID 108906234) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-methylcyclohexyl)urea
PubChem CID108906234
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1NC(=O)N/C=C/c1cccc(F)c1
InChIInChI=1S/C16H21FN2O/c1-12-5-2-3-8-15(12)19-16(20)18-10-9-13-6-4-7-14(17)11-13/h4,6-7,9-12,15H,2-3,5,8H2,1H3,(H2,18,19,20)/b10-9+
InChIKeyRNSVXBCNHUHAEH-MDZDMXLPSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-2-cyano-3-(3-fluorophenyl)-N-[(1R,2R)-2-methylcyclohexyl]prop-2-enamide
CID 2713060
[(2S)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 51730191
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 8021340
1-(2-methylcyclohexyl)-3-[(E)-2-(2-methylphenyl)ethenyl]urea
CID 108903627
1-[(Z)-(3-fluorophenyl)methylideneamino]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 9122210
1-[(E)-2-(3-bromophenyl)ethenyl]-3-cyclopentylurea
CID 108906847
(E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide
CID 43010855
(E)-3-(3-bromophenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide
CID 7976082
(E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide
CID 115342655
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-[(4-methylphenyl)methyl]urea
CID 108906179
(E)-3-(3-fluorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798358
(E)-N-(2-methylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6219909

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-methylcyclohexyl)urea?
The IUPAC name of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-methylcyclohexyl)urea (CID 108906234) is 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-methylcyclohexyl)urea.
What is the SMILES notation for 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-methylcyclohexyl)urea?
The canonical SMILES for 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-methylcyclohexyl)urea is CC1CCCCC1NC(=O)N/C=C/c1cccc(F)c1.
What is the InChIKey of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-methylcyclohexyl)urea?
The InChIKey is RNSVXBCNHUHAEH-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-12-5-2-3-8-15(12)19-16(20)18-10-9-13-6-4-7-14(17)11-13/h4,6-7,9-12,15H,2-3,5,8H2,1H3,(H2,18,19,20)/b10-9+.
What are the key properties of 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-methylcyclohexyl)urea?
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-methylcyclohexyl)urea has a molecular weight of 276.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(2-methylcyclohexyl)urea is sourced from PubChem (CID 108906234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).