1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea

C14H21ClN2O2 — CID 110890756

IUPAC1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)NC(C)CO
InChIInChI=1S/C14H21ClN2O2/c1-4-10-6-7-12(15)11(5-2)13(10)17-14(19)16-9(3)8-18/h6-7,9,18H,4-5,8H2,1-3H3,(H2,16,17,19)
InChIKeyJYWRMIZYOFQPHX-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.97
Rot. Bonds5

About 1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea

1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea (PubChem CID 110890756) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea
PubChem CID110890756
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)NC(C)CO
InChIInChI=1S/C14H21ClN2O2/c1-4-10-6-7-12(15)11(5-2)13(10)17-14(19)16-9(3)8-18/h6-7,9,18H,4-5,8H2,1-3H3,(H2,16,17,19)
InChIKeyJYWRMIZYOFQPHX-UHFFFAOYSA-N
XLogP2.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(3-chloro-2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669715
1-(3-chloro-2,6-diethylphenyl)-3-propylurea
CID 47108166
1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea
CID 47197433
2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide
CID 62855747
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317
2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide
CID 56812801
1-(3-chloro-2,6-diethylphenyl)-3-[(2S)-2-hydroxy-3-methoxypropyl]urea
CID 95771319
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
1-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 95155199
1-(3-chloro-2,6-diethylphenyl)-3-[(2-fluorophenyl)methyl]urea
CID 52593738
1-[2,6-di(propan-2-yl)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 21348423
3-(3-chloro-2,6-diethylphenyl)-1-(2-hydroxyethyl)-1-(3-hydroxypropyl)urea
CID 111578885

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea (CID 110890756) is 1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea is CCc1ccc(Cl)c(CC)c1NC(=O)NC(C)CO.
What is the InChIKey of 1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is JYWRMIZYOFQPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-10-6-7-12(15)11(5-2)13(10)17-14(19)16-9(3)8-18/h6-7,9,18H,4-5,8H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea?
1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 284.79 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,6-diethylphenyl)-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 110890756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).