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

C13H18ClN3O — CID 16776834

IUPAC1-(3-amino-4-chlorophenyl)-3-cyclohexylurea
SMILESNc1cc(NC(=O)NC2CCCCC2)ccc1Cl
InChIInChI=1S/C13H18ClN3O/c14-11-7-6-10(8-12(11)15)17-13(18)16-9-4-2-1-3-5-9/h6-9H,1-5,15H2,(H2,16,17,18)
InChIKeyZIPTZGCIDRUWHV-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.38
Rot. Bonds2

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

1-(3-amino-4-chlorophenyl)-3-cyclohexylurea (PubChem CID 16776834) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(3-amino-4-chlorophenyl)-3-cyclohexylurea.

Molecular Properties

Compound Name1-(3-amino-4-chlorophenyl)-3-cyclohexylurea
PubChem CID16776834
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-(3-amino-4-chlorophenyl)-3-cyclohexylurea
SMILESNc1cc(NC(=O)NC2CCCCC2)ccc1Cl
InChIInChI=1S/C13H18ClN3O/c14-11-7-6-10(8-12(11)15)17-13(18)16-9-4-2-1-3-5-9/h6-9H,1-5,15H2,(H2,16,17,18)
InChIKeyZIPTZGCIDRUWHV-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

2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 39184480
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427
1-(4-amino-3-bromophenyl)-3-cyclobutylurea
CID 116653685
1-(azepan-4-yl)-3-(3,4-dichlorophenyl)urea
CID 107172624
1-[3-(3-aminoprop-1-ynyl)-4-chlorophenyl]-3-cyclobutylurea
CID 116658808
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-cyclohexylurea
CID 17269947
1-cycloheptyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 47132834
1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)urea
CID 3271031

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-chlorophenyl)-3-cyclohexylurea?
The IUPAC name of 1-(3-amino-4-chlorophenyl)-3-cyclohexylurea (CID 16776834) is 1-(3-amino-4-chlorophenyl)-3-cyclohexylurea.
What is the SMILES notation for 1-(3-amino-4-chlorophenyl)-3-cyclohexylurea?
The canonical SMILES for 1-(3-amino-4-chlorophenyl)-3-cyclohexylurea is Nc1cc(NC(=O)NC2CCCCC2)ccc1Cl.
What is the InChIKey of 1-(3-amino-4-chlorophenyl)-3-cyclohexylurea?
The InChIKey is ZIPTZGCIDRUWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-11-7-6-10(8-12(11)15)17-13(18)16-9-4-2-1-3-5-9/h6-9H,1-5,15H2,(H2,16,17,18).
What are the key properties of 1-(3-amino-4-chlorophenyl)-3-cyclohexylurea?
1-(3-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-(3-amino-4-chlorophenyl)-3-cyclohexylurea is sourced from PubChem (CID 16776834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).