1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea

C20H31ClN2O2 — CID 108875500

IUPAC1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
SMILESCOc1ccc(Cl)cc1NC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C20H31ClN2O2/c1-25-19-14-13-16(21)15-18(19)23-20(24)22-17-11-9-7-5-3-2-4-6-8-10-12-17/h13-15,17H,2-12H2,1H3,(H2,22,23,24)
InChIKeyFBWDUPVEPSGLBU-UHFFFAOYSA-N
MW366.93 g/mol
LogP6.14
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea

1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea (PubChem CID 108875500) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
PubChem CID108875500
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
SMILESCOc1ccc(Cl)cc1NC(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C20H31ClN2O2/c1-25-19-14-13-16(21)15-18(19)23-20(24)22-17-11-9-7-5-3-2-4-6-8-10-12-17/h13-15,17H,2-12H2,1H3,(H2,22,23,24)
InChIKeyFBWDUPVEPSGLBU-UHFFFAOYSA-N
XLogP6.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.93
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 6470715
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2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide
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N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide
CID 7509630
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclohexylamino)propanamide
CID 40602408
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
N'-(5-chloro-2-methoxyphenyl)-N-cyclopropyloxamide
CID 2194402
N-(5-chloro-2-methoxyphenyl)-2-[[2-(cyclopentylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 8001433
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
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CID 146221893
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea (CID 108875500) is 1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea is COc1ccc(Cl)cc1NC(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea?
The InChIKey is FBWDUPVEPSGLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2O2/c1-25-19-14-13-16(21)15-18(19)23-20(24)22-17-11-9-7-5-3-2-4-6-8-10-12-17/h13-15,17H,2-12H2,1H3,(H2,22,23,24).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea?
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea has a molecular weight of 366.93 g/mol, XLogP of 6.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea is sourced from PubChem (CID 108875500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).