1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea

C15H21Cl2N3O — CID 79113332

IUPAC1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea
SMILESCCN(C(=O)Nc1cc(Cl)ccc1Cl)C1CCC(N)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-2-20(12-6-4-11(18)5-7-12)15(21)19-14-9-10(16)3-8-13(14)17/h3,8-9,11-12H,2,4-7,18H2,1H3,(H,19,21)
InChIKeyDJFPVZZWUFGCTR-UHFFFAOYSA-N
MW330.26 g/mol
LogP4.12
Rot. Bonds3

About 1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea

1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea (PubChem CID 79113332) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea
PubChem CID79113332
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC Name1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea
SMILESCCN(C(=O)Nc1cc(Cl)ccc1Cl)C1CCC(N)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-2-20(12-6-4-11(18)5-7-12)15(21)19-14-9-10(16)3-8-13(14)17/h3,8-9,11-12H,2,4-7,18H2,1H3,(H,19,21)
InChIKeyDJFPVZZWUFGCTR-UHFFFAOYSA-N
XLogP4.12
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,5-dichlorophenyl)-1-ethyl-1-piperidin-3-ylurea
CID 63636758
1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea
CID 79115256
4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid
CID 61194119
N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide
CID 107990592
1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea
CID 19935194
3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108886137
methyl 2-[(2,5-dichlorophenyl)carbamoyl-ethylamino]acetate
CID 54998078
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2,5-dichlorophenyl)-1-methylurea
CID 61233157
N-(2,5-dichlorophenyl)-N',N'-diethyloxamide
CID 39370052
N-(4-aminocyclohexyl)-5-chloro-N-ethylpyridine-2-carboxamide
CID 79115416
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
2-(4-amino-3-ethylpiperidin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 81452927

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea?
The IUPAC name of 1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea (CID 79113332) is 1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea.
What is the SMILES notation for 1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea?
The canonical SMILES for 1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea is CCN(C(=O)Nc1cc(Cl)ccc1Cl)C1CCC(N)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea?
The InChIKey is DJFPVZZWUFGCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-2-20(12-6-4-11(18)5-7-12)15(21)19-14-9-10(16)3-8-13(14)17/h3,8-9,11-12H,2,4-7,18H2,1H3,(H,19,21).
What are the key properties of 1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea?
1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea has a molecular weight of 330.26 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea is sourced from PubChem (CID 79113332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).