1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea

C15H23ClN2O2 — CID 111120831

IUPAC1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCC(NC(=O)NCC(C)(O)C(C)C)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-10(2)15(4,20)9-17-14(19)18-11(3)12-7-5-6-8-13(12)16/h5-8,10-11,20H,9H2,1-4H3,(H2,17,18,19)
InChIKeyLTMWUNGEGPEPDO-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.11
Rot. Bonds5

About 1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea

1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea (PubChem CID 111120831) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
PubChem CID111120831
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
SMILESCC(NC(=O)NCC(C)(O)C(C)C)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-10(2)15(4,20)9-17-14(19)18-11(3)12-7-5-6-8-13(12)16/h5-8,10-11,20H,9H2,1-4H3,(H2,17,18,19)
InChIKeyLTMWUNGEGPEPDO-UHFFFAOYSA-N
XLogP3.11
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2-chlorophenyl)ethyl]-3-propan-2-ylurea
CID 29026170
4-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]butanamide
CID 94157556
4-[[(1S)-1-(2-chlorophenyl)ethyl]carbamoylamino]butanoic acid
CID 122015571
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111121109
3-[1-(2-chlorophenyl)ethylcarbamoylamino]-2-methoxypropanoic acid
CID 106109901
1-[1-(2-chlorophenyl)ethyl]-3-[3-(4-hydroxyphenyl)propyl]urea
CID 86973181
1-[1-(2-chlorophenyl)ethyl]-3-[2-(2-hydroxyethyl)pentyl]urea
CID 111503966
2-amino-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 81378449
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468
2-amino-N-[1-(2-chlorophenyl)ethyl]acetamide;hydrochloride
CID 119268984
1-[1-(2-fluorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 113219964

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea (CID 111120831) is 1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea is CC(NC(=O)NCC(C)(O)C(C)C)c1ccccc1Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
The InChIKey is LTMWUNGEGPEPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-10(2)15(4,20)9-17-14(19)18-11(3)12-7-5-6-8-13(12)16/h5-8,10-11,20H,9H2,1-4H3,(H2,17,18,19).
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea?
1-[1-(2-chlorophenyl)ethyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea has a molecular weight of 298.81 g/mol, XLogP of 3.11, 5 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-hydroxy-2,3-dimethylbutyl)urea is sourced from PubChem (CID 111120831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).