1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea

C15H22FN3O — CID 61030345

IUPAC1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea
SMILESCCNC1CCC(NC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C15H22FN3O/c1-2-17-12-6-8-13(9-7-12)18-15(20)19-14-5-3-4-11(16)10-14/h3-5,10,12-13,17H,2,6-9H2,1H3,(H2,18,19,20)
InChIKeyAEVZZIRMDUCGSI-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.87
Rot. Bonds4

About 1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea

1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea (PubChem CID 61030345) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea
PubChem CID61030345
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea
SMILESCCNC1CCC(NC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C15H22FN3O/c1-2-17-12-6-8-13(9-7-12)18-15(20)19-14-5-3-4-11(16)10-14/h3-5,10,12-13,17H,2,6-9H2,1H3,(H2,18,19,20)
InChIKeyAEVZZIRMDUCGSI-UHFFFAOYSA-N
XLogP2.87
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(ethylamino)cyclohexyl]-3-fluorobenzamide
CID 43653350
1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea
CID 61029509
1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea
CID 63631483
1-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-(3-fluorophenyl)urea
CID 61150447
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
2-N-cyclopropyl-1-N-(3-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109130976
N-[3-(cycloheptylcarbamoylamino)phenyl]propanamide
CID 47033628
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluorophenyl)urea
CID 111976013
N-cyclopropyl-2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 46681642
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
CID 79110382

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea (CID 61030345) is 1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea is CCNC1CCC(NC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea?
The InChIKey is AEVZZIRMDUCGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-2-17-12-6-8-13(9-7-12)18-15(20)19-14-5-3-4-11(16)10-14/h3-5,10,12-13,17H,2,6-9H2,1H3,(H2,18,19,20).
What are the key properties of 1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea?
1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea has a molecular weight of 279.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)cyclohexyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 61030345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).