1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea

C14H18Cl2N2O — CID 5235617

IUPAC1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
SMILESO=C(NCC1CCCCC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O/c15-12-7-6-11(8-13(12)16)18-14(19)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H2,17,18,19)
InChIKeyDGSVHPRFTNCVNT-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.70
Rot. Bonds3

About 1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea

1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea (PubChem CID 5235617) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
PubChem CID5235617
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
SMILESO=C(NCC1CCCCC1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2O/c15-12-7-6-11(8-13(12)16)18-14(19)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H2,17,18,19)
InChIKeyDGSVHPRFTNCVNT-UHFFFAOYSA-N
XLogP4.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dichlorophenyl)-3-(pyrrolidin-3-ylmethyl)urea
CID 80563195
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
1-(cyclohexylmethyl)-3-(4-hydroxyphenyl)urea
CID 108902801
1-(3,4-dichlorophenyl)-3-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]urea
CID 91814176
1-[3-(cyclopropylmethoxy)propyl]-3-(3,4-dichlorophenyl)urea
CID 17466807
1-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(3,4-dichlorophenyl)urea
CID 98157357
2-bromo-5-(cyclopentylmethylcarbamoylamino)benzoic acid
CID 115296706
1-(3,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 3687659
1-(cyclohexylmethyl)-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
CID 66936252
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)carbamoylamino]butyl]urea
CID 15270622
1-(3,4-dichlorophenyl)-3-[3-[(3,4-dichlorophenyl)carbamoylamino]propyl]urea
CID 4159166
1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108902937

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea (CID 5235617) is 1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea is O=C(NCC1CCCCC1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea?
The InChIKey is DGSVHPRFTNCVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c15-12-7-6-11(8-13(12)16)18-14(19)17-9-10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H2,17,18,19).
What are the key properties of 1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea?
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea has a molecular weight of 301.22 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 5235617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).