1-(4-chlorophenyl)-3-cyclododecylurea

C19H29ClN2O — CID 19165021

IUPAC1-(4-chlorophenyl)-3-cyclododecylurea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCCCCCCCCCC1
InChIInChI=1S/C19H29ClN2O/c20-16-12-14-18(15-13-16)22-19(23)21-17-10-8-6-4-2-1-3-5-7-9-11-17/h12-15,17H,1-11H2,(H2,21,22,23)
InChIKeyRUACUYQFEJBHIN-UHFFFAOYSA-N
MW336.91 g/mol
LogP6.13
Rot. Bonds2

About 1-(4-chlorophenyl)-3-cyclododecylurea

1-(4-chlorophenyl)-3-cyclododecylurea (PubChem CID 19165021) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-cyclododecylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-cyclododecylurea
PubChem CID19165021
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name1-(4-chlorophenyl)-3-cyclododecylurea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCCCCCCCCCC1
InChIInChI=1S/C19H29ClN2O/c20-16-12-14-18(15-13-16)22-19(23)21-17-10-8-6-4-2-1-3-5-7-9-11-17/h12-15,17H,1-11H2,(H2,21,22,23)
InChIKeyRUACUYQFEJBHIN-UHFFFAOYSA-N
XLogP6.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.91
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
CID 11026212
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide
CID 60572957
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
1-(4-chlorophenyl)-3-cyclododecylthiourea
CID 17263329
N'-(4-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
CID 53255615
1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea
CID 3710204
4-(cyclooctylcarbamoylamino)benzoic acid
CID 61181422
1-cyclohexyl-3-(4-cyclopentylphenyl)urea
CID 170179753
1-cyclohexyl-3-[4-(3,4-difluoroanilino)phenyl]urea
CID 112990296

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-cyclododecylurea?
The IUPAC name of 1-(4-chlorophenyl)-3-cyclododecylurea (CID 19165021) is 1-(4-chlorophenyl)-3-cyclododecylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-cyclododecylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3-cyclododecylurea is O=C(Nc1ccc(Cl)cc1)NC1CCCCCCCCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-cyclododecylurea?
The InChIKey is RUACUYQFEJBHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O/c20-16-12-14-18(15-13-16)22-19(23)21-17-10-8-6-4-2-1-3-5-7-9-11-17/h12-15,17H,1-11H2,(H2,21,22,23).
What are the key properties of 1-(4-chlorophenyl)-3-cyclododecylurea?
1-(4-chlorophenyl)-3-cyclododecylurea has a molecular weight of 336.91 g/mol, XLogP of 6.13, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-cyclododecylurea is sourced from PubChem (CID 19165021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).