1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea

C13H19ClN2O3 — CID 110896841

IUPAC1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea
SMILESCCCOc1ccc(Cl)cc1NC(=O)NC(C)CO
InChIInChI=1S/C13H19ClN2O3/c1-3-6-19-12-5-4-10(14)7-11(12)16-13(18)15-9(2)8-17/h4-5,7,9,17H,3,6,8H2,1-2H3,(H2,15,16,18)
InChIKeyCZMWGGKTLAKAPW-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.63
Rot. Bonds6

About 1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea

1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea (PubChem CID 110896841) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea
PubChem CID110896841
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea
SMILESCCCOc1ccc(Cl)cc1NC(=O)NC(C)CO
InChIInChI=1S/C13H19ClN2O3/c1-3-6-19-12-5-4-10(14)7-11(12)16-13(18)15-9(2)8-17/h4-5,7,9,17H,3,6,8H2,1-2H3,(H2,15,16,18)
InChIKeyCZMWGGKTLAKAPW-UHFFFAOYSA-N
XLogP2.63
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110891123
1-(2,5-dichlorophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023669
2-bromo-N-(5-chloro-2-propoxyphenyl)butanamide
CID 62854326
3-[(5-chloro-2-propoxyphenyl)carbamoylamino]propanoic acid
CID 122076804
(2R)-2-amino-N-(5-chloro-2-propoxyphenyl)-3,3-dimethylbutanamide
CID 103929030
1-[5-chloro-2-(dimethylamino)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 111435033
4-amino-N-(5-chloro-2-propoxyphenyl)pentanamide;hydrochloride
CID 120560403
1-(5-chloro-2-propoxyphenyl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 56555388
N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
CID 61062461
N-(5-chloro-2-propoxyphenyl)-5-hydroxypentanamide
CID 79199775
5-amino-N-(5-chloro-2-propoxyphenyl)-4-methylpentanamide
CID 82011180
N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide
CID 47310185

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea (CID 110896841) is 1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea is CCCOc1ccc(Cl)cc1NC(=O)NC(C)CO.
What is the InChIKey of 1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is CZMWGGKTLAKAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-3-6-19-12-5-4-10(14)7-11(12)16-13(18)15-9(2)8-17/h4-5,7,9,17H,3,6,8H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea?
1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 286.76 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-propoxyphenyl)-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 110896841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).