1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea

C14H18Cl2N2O — CID 51421854

IUPAC1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea
SMILESCC1CCC(NC(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O/c1-9-2-5-11(6-3-9)17-14(19)18-13-7-4-10(15)8-12(13)16/h4,7-9,11H,2-3,5-6H2,1H3,(H2,17,18,19)
InChIKeyRPXWRBRCERRYRG-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.69
Rot. Bonds2

About 1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea

1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea (PubChem CID 51421854) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea
PubChem CID51421854
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea
SMILESCC1CCC(NC(=O)Nc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H18Cl2N2O/c1-9-2-5-11(6-3-9)17-14(19)18-13-7-4-10(15)8-12(13)16/h4,7-9,11H,2-3,5-6H2,1H3,(H2,17,18,19)
InChIKeyRPXWRBRCERRYRG-UHFFFAOYSA-N
XLogP4.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-2-fluorophenyl)-3-(4-methylcyclohexyl)urea
CID 17249915
cis-(1R,3S)-3-[(2,4-dichlorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324030
N-cyclopropyl-N'-(2,4-dichlorophenyl)oxamide
CID 108502911
5-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61186634
1-(2-chloro-4-methylphenyl)-3-cyclobutylurea
CID 115617867
N-cyclopropyl-2-(2,4-dichloroanilino)propanamide
CID 43085964
1-N-cyclopropyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043435
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61187742
1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea
CID 47196003
3-[(2-chloro-4-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66030426

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea (CID 51421854) is 1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea is CC1CCC(NC(=O)Nc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea?
The InChIKey is RPXWRBRCERRYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-9-2-5-11(6-3-9)17-14(19)18-13-7-4-10(15)8-12(13)16/h4,7-9,11H,2-3,5-6H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea?
1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea has a molecular weight of 301.22 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-(4-methylcyclohexyl)urea is sourced from PubChem (CID 51421854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).