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

C16H25ClN2O2 — CID 111503966

IUPAC1-[1-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-3-6-13(9-10-20)11-18-16(21)19-12(2)14-7-4-5-8-15(14)17/h4-5,7-8,12-13,20H,3,6,9-11H2,1-2H3,(H2,18,19,21)
InChIKeyBZLGZSZCBDXLNR-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.50
Rot. Bonds8

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

1-[1-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethyl)pentyl]urea (PubChem CID 111503966) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethyl)pentyl]urea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethyl)pentyl]urea
PubChem CID111503966
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethyl)pentyl]urea
SMILESCCCC(CCO)CNC(=O)NC(C)c1ccccc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-3-6-13(9-10-20)11-18-16(21)19-12(2)14-7-4-5-8-15(14)17/h4-5,7-8,12-13,20H,3,6,9-11H2,1-2H3,(H2,18,19,21)
InChIKeyBZLGZSZCBDXLNR-UHFFFAOYSA-N
XLogP3.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]methyl]hexan-1-ol
CID 106115231
3-[1-(2-chlorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106109901
1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
1-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709965
4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]butanamide
CID 94157556
1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111120831
4-[[(1S)-1-(2-chlorophenyl)ethyl]carbamoylamino]butanoic acid
CID 122015571
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81378925
1-(3,5-dichlorophenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709984
N-[1-(2-chlorophenyl)ethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 42933788
1-ethyl-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103708339
3-[[1-(2,4-dichlorophenyl)ethylamino]methyl]hexan-1-ol
CID 103787405

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethyl)pentyl]urea?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethyl)pentyl]urea (CID 111503966) is 1-[1-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethyl)pentyl]urea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethyl)pentyl]urea?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethyl)pentyl]urea is CCCC(CCO)CNC(=O)NC(C)c1ccccc1Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethyl)pentyl]urea?
The InChIKey is BZLGZSZCBDXLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-3-6-13(9-10-20)11-18-16(21)19-12(2)14-7-4-5-8-15(14)17/h4-5,7-8,12-13,20H,3,6,9-11H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethyl)pentyl]urea?
1-[1-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethyl)pentyl]urea has a molecular weight of 312.84 g/mol, XLogP of 3.50, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethyl)pentyl]urea is sourced from PubChem (CID 111503966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).