1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea

C15H22ClN3O — CID 79115256

IUPAC1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea
SMILESCCN(C(=O)Nc1cccc(Cl)c1)C1CCC(N)CC1
InChIInChI=1S/C15H22ClN3O/c1-2-19(14-8-6-12(17)7-9-14)15(20)18-13-5-3-4-11(16)10-13/h3-5,10,12,14H,2,6-9,17H2,1H3,(H,18,20)
InChIKeyBEUQIWZIWNOSMT-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.46
Rot. Bonds3

About 1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea

1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea (PubChem CID 79115256) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea
PubChem CID79115256
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea
SMILESCCN(C(=O)Nc1cccc(Cl)c1)C1CCC(N)CC1
InChIInChI=1S/C15H22ClN3O/c1-2-19(14-8-6-12(17)7-9-14)15(20)18-13-5-3-4-11(16)10-13/h3-5,10,12,14H,2,6-9,17H2,1H3,(H,18,20)
InChIKeyBEUQIWZIWNOSMT-UHFFFAOYSA-N
XLogP3.46
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-aminocyclohexyl)-3-(2,5-dichlorophenyl)-1-ethylurea
CID 79113332
2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 65345497
3-(3-chlorophenyl)-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea
CID 110874785
3-(3-chlorophenyl)-1-propyl-1-pyrrolidin-3-ylurea
CID 63300801
1,1-bis[(2S)-butan-2-yl]-3-(3-chlorophenyl)urea
CID 40636276
4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid
CID 61194119
N-(3-chlorophenyl)-2-[cyclopropyl(1-cyclopropylethyl)amino]acetamide
CID 46602371
N-(3-chlorophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108950152
1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-chlorophenyl)-1-ethylurea
CID 61231908
3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid
CID 115340620
2-[(4-aminocyclohexyl)-ethylamino]-N-(3-methylphenyl)acetamide
CID 79113681
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119933944

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea?
The IUPAC name of 1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea (CID 79115256) is 1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea.
What is the SMILES notation for 1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea?
The canonical SMILES for 1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea is CCN(C(=O)Nc1cccc(Cl)c1)C1CCC(N)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea?
The InChIKey is BEUQIWZIWNOSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-19(14-8-6-12(17)7-9-14)15(20)18-13-5-3-4-11(16)10-13/h3-5,10,12,14H,2,6-9,17H2,1H3,(H,18,20).
What are the key properties of 1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea?
1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea has a molecular weight of 295.81 g/mol, XLogP of 3.46, 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-(3-chlorophenyl)-1-ethylurea is sourced from PubChem (CID 79115256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).