1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea

C15H21ClN2O — CID 4064098

IUPAC1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea
SMILESCC1CCCC(NC(=O)Nc2cccc(Cl)c2)C1C
InChIInChI=1S/C15H21ClN2O/c1-10-5-3-8-14(11(10)2)18-15(19)17-13-7-4-6-12(16)9-13/h4,6-7,9-11,14H,3,5,8H2,1-2H3,(H2,17,18,19)
InChIKeyVHKKREFCQLNRKR-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.29
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea

1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea (PubChem CID 4064098) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea
PubChem CID4064098
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea
SMILESCC1CCCC(NC(=O)Nc2cccc(Cl)c2)C1C
InChIInChI=1S/C15H21ClN2O/c1-10-5-3-8-14(11(10)2)18-15(19)17-13-7-4-6-12(16)9-13/h4,6-7,9-11,14H,3,5,8H2,1-2H3,(H2,17,18,19)
InChIKeyVHKKREFCQLNRKR-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64818167
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806
1-(2-carbamothioylcyclopentyl)-3-(3-chlorophenyl)urea
CID 55152530
3-acetamido-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]benzamide
CID 6598954
3-acetamido-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
CID 11920330
1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
CID 79110382
1-(3-chlorophenyl)-3-[(1R,2R)-2-[(3,5-dichloro-4-pyridinyl)amino]cyclohexyl]urea
CID 134359666
1-(3-chlorophenyl)-3-[(1S,2R)-2-[(3,5-dichloro-4-pyridinyl)amino]cyclohexyl]urea
CID 175170753
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-(3-chlorophenyl)urea
CID 20787787
1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
1-[3-(1-aminoethyl)phenyl]-3-(2-methylcyclopentyl)urea
CID 63279777
2,5-dichloro-N-(2,3-dimethylcyclohexyl)benzamide
CID 43007916

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea (CID 4064098) is 1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea is CC1CCCC(NC(=O)Nc2cccc(Cl)c2)C1C.
What is the InChIKey of 1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea?
The InChIKey is VHKKREFCQLNRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10-5-3-8-14(11(10)2)18-15(19)17-13-7-4-6-12(16)9-13/h4,6-7,9-11,14H,3,5,8H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea?
1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea has a molecular weight of 280.80 g/mol, XLogP of 4.29, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)urea is sourced from PubChem (CID 4064098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).