1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea

C14H21ClN2O2 — CID 103709965

IUPAC1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-2-3-11(8-9-18)10-16-14(19)17-13-6-4-12(15)5-7-13/h4-7,11,18H,2-3,8-10H2,1H3,(H2,16,17,19)
InChIKeyBHZYZSIDZQJFJJ-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.26
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea

1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea (PubChem CID 103709965) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
PubChem CID103709965
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClN2O2/c1-2-3-11(8-9-18)10-16-14(19)17-13-6-4-12(15)5-7-13/h4-7,11,18H,2-3,8-10H2,1H3,(H2,16,17,19)
InChIKeyBHZYZSIDZQJFJJ-UHFFFAOYSA-N
XLogP3.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709984
1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709881
1-(1-ethyl-6-oxo-3-pyridinyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474032
1-(3-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709950
1-(4-chlorophenyl)-3-(3-hydroxy-2-methylpropyl)urea
CID 61355731
1-(5-bromo-2-fluorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111474795
1-[2-(2-hydroxyethyl)pentyl]-3-(3-methoxyphenyl)urea
CID 103709895
2,5-dichloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103725481
N'-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-4-methylpentyl]oxamide
CID 111521505
1-(2-aminobutyl)-3-(4-chlorophenyl)urea
CID 63733055
1-(3-ethoxyphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111473927
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea (CID 103709965) is 1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea is CCCC(CCO)CNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
The InChIKey is BHZYZSIDZQJFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-2-3-11(8-9-18)10-16-14(19)17-13-6-4-12(15)5-7-13/h4-7,11,18H,2-3,8-10H2,1H3,(H2,16,17,19).
What are the key properties of 1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea?
1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea has a molecular weight of 284.79 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea is sourced from PubChem (CID 103709965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).