1-(2-amino-4-chlorophenyl)-3-cyclohexylurea

C13H18ClN3O — CID 16771427

IUPAC1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
SMILESNc1cc(Cl)ccc1NC(=O)NC1CCCCC1
InChIInChI=1S/C13H18ClN3O/c14-9-6-7-12(11(15)8-9)17-13(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5,15H2,(H2,16,17,18)
InChIKeyYMJQMYQBEQSOTO-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.38
Rot. Bonds2

About 1-(2-amino-4-chlorophenyl)-3-cyclohexylurea

1-(2-amino-4-chlorophenyl)-3-cyclohexylurea (PubChem CID 16771427) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(2-amino-4-chlorophenyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
PubChem CID16771427
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
SMILESNc1cc(Cl)ccc1NC(=O)NC1CCCCC1
InChIInChI=1S/C13H18ClN3O/c14-9-6-7-12(11(15)8-9)17-13(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5,15H2,(H2,16,17,18)
InChIKeyYMJQMYQBEQSOTO-UHFFFAOYSA-N
XLogP3.38
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
1-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-cyclohexylurea
CID 81280608
1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
CID 16777424
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
CID 4253311
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(2-amino-4-methylphenyl)-3-cyclopropylurea
CID 62699288
1-(4-amino-2-bromophenyl)-3-cyclohexylurea
CID 43551414
1-(3-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16776834
5-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61186634

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-chlorophenyl)-3-cyclohexylurea?
The IUPAC name of 1-(2-amino-4-chlorophenyl)-3-cyclohexylurea (CID 16771427) is 1-(2-amino-4-chlorophenyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(2-amino-4-chlorophenyl)-3-cyclohexylurea?
The canonical SMILES for 1-(2-amino-4-chlorophenyl)-3-cyclohexylurea is Nc1cc(Cl)ccc1NC(=O)NC1CCCCC1.
What is the InChIKey of 1-(2-amino-4-chlorophenyl)-3-cyclohexylurea?
The InChIKey is YMJQMYQBEQSOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-9-6-7-12(11(15)8-9)17-13(18)16-10-4-2-1-3-5-10/h6-8,10H,1-5,15H2,(H2,16,17,18).
What are the key properties of 1-(2-amino-4-chlorophenyl)-3-cyclohexylurea?
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea has a molecular weight of 267.76 g/mol, XLogP of 3.38, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chlorophenyl)-3-cyclohexylurea is sourced from PubChem (CID 16771427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).