1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea

C14H19ClN2O — CID 3710204

IUPAC1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea
SMILESCC1CCCC(NC(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN2O/c1-10-3-2-4-13(9-10)17-14(18)16-12-7-5-11(15)6-8-12/h5-8,10,13H,2-4,9H2,1H3,(H2,16,17,18)
InChIKeyXKNGKBPOESQLHB-UHFFFAOYSA-N
MW266.77 g/mol
LogP4.04
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea

1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea (PubChem CID 3710204) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea
PubChem CID3710204
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea
SMILESCC1CCCC(NC(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H19ClN2O/c1-10-3-2-4-13(9-10)17-14(18)16-12-7-5-11(15)6-8-12/h5-8,10,13H,2-4,9H2,1H3,(H2,16,17,18)
InChIKeyXKNGKBPOESQLHB-UHFFFAOYSA-N
XLogP4.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 54.04
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-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
CID 41098100
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
2-[4-[(3-methylcyclohexyl)carbamoylamino]phenyl]acetic acid
CID 61198195
1-(4-chlorophenyl)-3-[(1S,5R)-9-propan-2-yl-9-azoniabicyclo[3.3.1]nonan-3-yl]urea
CID 11902308
1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane
CID 142985904
1-[4-(1-hydroxyethyl)phenyl]-3-(3-methylcyclopentyl)urea
CID 114539712
2-[(4-chlorophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 47075783
1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 40546318
1-(2-bromophenyl)-3-(3-methylcyclohexyl)urea
CID 47031785
1-(3-methylcyclopentyl)-3-(4-nitrophenyl)urea
CID 114552539

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea (CID 3710204) is 1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea is CC1CCCC(NC(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea?
The InChIKey is XKNGKBPOESQLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-3-2-4-13(9-10)17-14(18)16-12-7-5-11(15)6-8-12/h5-8,10,13H,2-4,9H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea?
1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea has a molecular weight of 266.77 g/mol, XLogP of 4.04, 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-(3-methylcyclohexyl)urea is sourced from PubChem (CID 3710204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).