3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea

C14H21ClN2O2 — CID 110894919

IUPAC3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-3-8-17(9-10-18)14(19)16-11(2)12-4-6-13(15)7-5-12/h4-7,11,18H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyLUYAFCALPLEAPO-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.81
Rot. Bonds6

About 3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea

3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea (PubChem CID 110894919) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea
PubChem CID110894919
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-3-8-17(9-10-18)14(19)16-11(2)12-4-6-13(15)7-5-12/h4-7,11,18H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyLUYAFCALPLEAPO-UHFFFAOYSA-N
XLogP2.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3-chloro-4-fluorophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110904151
1-[(4-chlorophenyl)methyl]-3-[(1S)-1-(4-ethylphenyl)ethyl]-1-(3-hydroxypropyl)urea
CID 126435536
1-butyl-3-[1-(4-cyanophenyl)ethyl]-1-(2-hydroxyethyl)urea
CID 110896568
3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-methylurea
CID 115603907
3-[1-(4-chlorophenyl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62853388
1-ethyl-1-(2-hydroxyethyl)-3-[1-(4-phenylphenyl)ethyl]urea
CID 110894923
1-(2-hydroxyethyl)-3-[1-(4-methylphenyl)propyl]-1-propylurea
CID 110882611
3-[1-(3-chloro-4-fluorophenyl)ethyl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424240
3-[1-(4-bromophenyl)propyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110882607
4-[4-[(1R)-1-acetamidoethyl]phenyl]-N-(2-hydroxyethyl)-N-propylbenzamide
CID 126438407
3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78855440
3-[(4-fluorophenyl)-phenylmethyl]-1-(2-hydroxyethyl)-1-propylurea
CID 110896607

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea?
The IUPAC name of 3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea (CID 110894919) is 3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea.
What is the SMILES notation for 3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea?
The canonical SMILES for 3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea is CCCN(CCO)C(=O)NC(C)c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea?
The InChIKey is LUYAFCALPLEAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-3-8-17(9-10-18)14(19)16-11(2)12-4-6-13(15)7-5-12/h4-7,11,18H,3,8-10H2,1-2H3,(H,16,19).
What are the key properties of 3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea?
3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea has a molecular weight of 284.79 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)ethyl]-1-(2-hydroxyethyl)-1-propylurea is sourced from PubChem (CID 110894919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).