1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

C15H23ClN2O3 — CID 111925980

IUPAC1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCC(C)Oc1ccc(NC(=O)NC(C)(C)CCO)cc1Cl
InChIInChI=1S/C15H23ClN2O3/c1-10(2)21-13-6-5-11(9-12(13)16)17-14(20)18-15(3,4)7-8-19/h5-6,9-10,19H,7-8H2,1-4H3,(H2,17,18,20)
InChIKeyGCRAXOHVSQCYOU-UHFFFAOYSA-N
MW314.81 g/mol
LogP3.41
Rot. Bonds6

About 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea

1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (PubChem CID 111925980) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
PubChem CID111925980
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
SMILESCC(C)Oc1ccc(NC(=O)NC(C)(C)CCO)cc1Cl
InChIInChI=1S/C15H23ClN2O3/c1-10(2)21-13-6-5-11(9-12(13)16)17-14(20)18-15(3,4)7-8-19/h5-6,9-10,19H,7-8H2,1-4H3,(H2,17,18,20)
InChIKeyGCRAXOHVSQCYOU-UHFFFAOYSA-N
XLogP3.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-propan-2-yloxyphenyl)-3-(1-hydroxypentan-3-yl)urea
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1-(3-fluoro-4-methoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
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1-(3-chloro-4-pyrrolidin-1-ylphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111754895
1-(3-chloro-4-methoxyphenyl)-3-(2,4,4-trimethylpentan-2-yl)urea
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3-(3-chloro-4-propan-2-yloxyanilino)-3-oxopropanoic acid
CID 62231321
4-[(3-chloro-4-methoxyphenyl)carbamoylamino]-N,4-dimethylpentanamide
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ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
N-(3-chloro-4-propan-2-yloxyphenyl)-2-methoxypropanamide
CID 47306002
2-(3-chloro-4-propan-2-yloxyanilino)acetamide
CID 96674678
(2S)-2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)butanamide
CID 79024527
2-amino-N-(3-chloro-4-propan-2-yloxyphenyl)-2-phenylpropanamide
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4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide
CID 43712010

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The IUPAC name of 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea (CID 111925980) is 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea.
What is the SMILES notation for 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The canonical SMILES for 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is CC(C)Oc1ccc(NC(=O)NC(C)(C)CCO)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
The InChIKey is GCRAXOHVSQCYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-10(2)21-13-6-5-11(9-12(13)16)17-14(20)18-15(3,4)7-8-19/h5-6,9-10,19H,7-8H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea?
1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea has a molecular weight of 314.81 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-propan-2-yloxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea is sourced from PubChem (CID 111925980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).