1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea

C14H21ClN2O2 — CID 108891921

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea
SMILESO=C(NCCCCCO)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c15-13-6-4-12(5-7-13)8-10-17-14(19)16-9-2-1-3-11-18/h4-7,18H,1-3,8-11H2,(H2,16,17,19)
InChIKeyQLRBPBQVAPCMOC-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.34
Rot. Bonds8

About 1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea

1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea (PubChem CID 108891921) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea
PubChem CID108891921
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea
SMILESO=C(NCCCCCO)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c15-13-6-4-12(5-7-13)8-10-17-14(19)16-9-2-1-3-11-18/h4-7,18H,1-3,8-11H2,(H2,16,17,19)
InChIKeyQLRBPBQVAPCMOC-UHFFFAOYSA-N
XLogP2.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-chlorophenyl)ethyl]-3-[3-(dimethylamino)propyl]urea
CID 108891914
1-[4-(4-chlorophenyl)butyl]-3-propylurea
CID 110357504
1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108885405
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
N-[2-(4-chlorophenyl)ethyl]-2-hydroxyacetamide
CID 16769436
1-[3-(4-chlorophenyl)propyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111505637
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
1-[2-(4-chlorophenyl)ethyl]-3-(cyclohexylidenemethyl)urea
CID 108912710
1-[2-(4-hydroxyphenyl)ethyl]-3-octadecylurea
CID 18183924

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea (CID 108891921) is 1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea is O=C(NCCCCCO)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea?
The InChIKey is QLRBPBQVAPCMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c15-13-6-4-12(5-7-13)8-10-17-14(19)16-9-2-1-3-11-18/h4-7,18H,1-3,8-11H2,(H2,16,17,19).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea?
1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea has a molecular weight of 284.79 g/mol, XLogP of 2.34, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-(5-hydroxypentyl)urea is sourced from PubChem (CID 108891921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).