3-(3,5-dichlorophenyl)-1-methyl-1-(4-oxocyclohexyl)urea

C14H16Cl2N2O2 — CID 107653604

IUPAC3-(3,5-dichlorophenyl)-1-methyl-1-(4-oxocyclohexyl)urea
SMILESCN(C(=O)Nc1cc(Cl)cc(Cl)c1)C1CCC(=O)CC1
InChIInChI=1S/C14H16Cl2N2O2/c1-18(12-2-4-13(19)5-3-12)14(20)17-11-7-9(15)6-10(16)8-11/h6-8,12H,2-5H2,1H3,(H,17,20)
InChIKeyWSQRTHWWCRUASS-UHFFFAOYSA-N
MW315.20 g/mol
LogP3.97
Rot. Bonds2

About 3-(3,5-dichlorophenyl)-1-methyl-1-(4-oxocyclohexyl)urea

3-(3,5-dichlorophenyl)-1-methyl-1-(4-oxocyclohexyl)urea (PubChem CID 107653604) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-1-methyl-1-(4-oxocyclohexyl)urea.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-1-methyl-1-(4-oxocyclohexyl)urea
PubChem CID107653604
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name3-(3,5-dichlorophenyl)-1-methyl-1-(4-oxocyclohexyl)urea
SMILESCN(C(=O)Nc1cc(Cl)cc(Cl)c1)C1CCC(=O)CC1
InChIInChI=1S/C14H16Cl2N2O2/c1-18(12-2-4-13(19)5-3-12)14(20)17-11-7-9(15)6-10(16)8-11/h6-8,12H,2-5H2,1H3,(H,17,20)
InChIKeyWSQRTHWWCRUASS-UHFFFAOYSA-N
XLogP3.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)cyclopentyl]-3-(3,5-dichlorophenyl)-1-methylurea
CID 107654170
N-cyclopropyl-2-(3,5-dichloroanilino)-N-methylacetamide
CID 54957036
3-bromo-5-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 107939103
methyl-(4-oxocyclohexyl)carbamic acid
CID 22236346
3-cyclohexyl-1-methyl-1-(4-oxocyclohexyl)urea
CID 79120718
1-(2-cyclopropyl-2-hydroxyethyl)-3-(3,5-dichlorophenyl)-1-methylurea
CID 111859033
4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120625
2-bromo-4-chloro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 114024487
ethyl 2-[cyclopropyl-[(3,5-dichlorophenyl)carbamoyl]amino]acetate
CID 107654415
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-methylurea
CID 4200063
1-cyclopropyl-3-[3-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea
CID 47053336
2-chloro-5-[[methyl(oxan-4-yl)carbamoyl]amino]benzoic acid
CID 61202978

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-1-methyl-1-(4-oxocyclohexyl)urea?
The IUPAC name of 3-(3,5-dichlorophenyl)-1-methyl-1-(4-oxocyclohexyl)urea (CID 107653604) is 3-(3,5-dichlorophenyl)-1-methyl-1-(4-oxocyclohexyl)urea.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-1-methyl-1-(4-oxocyclohexyl)urea?
The canonical SMILES for 3-(3,5-dichlorophenyl)-1-methyl-1-(4-oxocyclohexyl)urea is CN(C(=O)Nc1cc(Cl)cc(Cl)c1)C1CCC(=O)CC1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-1-methyl-1-(4-oxocyclohexyl)urea?
The InChIKey is WSQRTHWWCRUASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-18(12-2-4-13(19)5-3-12)14(20)17-11-7-9(15)6-10(16)8-11/h6-8,12H,2-5H2,1H3,(H,17,20).
What are the key properties of 3-(3,5-dichlorophenyl)-1-methyl-1-(4-oxocyclohexyl)urea?
3-(3,5-dichlorophenyl)-1-methyl-1-(4-oxocyclohexyl)urea has a molecular weight of 315.20 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-1-methyl-1-(4-oxocyclohexyl)urea is sourced from PubChem (CID 107653604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).