1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea

C12H16Cl2N2O3 — CID 94199882

IUPAC1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea
SMILESCCNC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O3/c1-2-15-12(18)16-6-8(17)7-19-10-5-3-4-9(13)11(10)14/h3-5,8,17H,2,6-7H2,1H3,(H2,15,16,18)/t8-/m1/s1
InChIKeyORZZFJOTLYFZGC-MRVPVSSYSA-N
MW307.18 g/mol
LogP2.05
Rot. Bonds6

About 1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea

1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea (PubChem CID 94199882) has the molecular formula C12H16Cl2N2O3 and a molecular weight of 307.18 g/mol. Its IUPAC name is 1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea
PubChem CID94199882
Molecular FormulaC12H16Cl2N2O3
Molecular Weight307.18 g/mol
Exact Mass306.05
IUPAC Name1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea
SMILESCCNC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl
InChIInChI=1S/C12H16Cl2N2O3/c1-2-15-12(18)16-6-8(17)7-19-10-5-3-4-9(13)11(10)14/h3-5,8,17H,2,6-7H2,1H3,(H2,15,16,18)/t8-/m1/s1
InChIKeyORZZFJOTLYFZGC-MRVPVSSYSA-N
XLogP2.05
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea
CID 95281049
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide
CID 119305104
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]prop-2-enamide
CID 146107030
3-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]propanamide
CID 119305092
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
N-tert-butyl-2-[[[[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]amino]-(ethylamino)methylidene]amino]acetamide
CID 111385492
2-[cyclopropyl(methyl)amino]-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]acetamide
CID 110911251
N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94797026
(2R)-N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pyrrolidine-2-carboxamide
CID 124591683
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-2-(oxan-4-yl)acetamide
CID 120790022
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119751860
1-cyano-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]cyclobutane-1-carboxamide
CID 111434785

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea?
The IUPAC name of 1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea (CID 94199882) is 1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea.
What is the SMILES notation for 1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea?
The canonical SMILES for 1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea is CCNC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea?
The InChIKey is ORZZFJOTLYFZGC-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O3/c1-2-15-12(18)16-6-8(17)7-19-10-5-3-4-9(13)11(10)14/h3-5,8,17H,2,6-7H2,1H3,(H2,15,16,18)/t8-/m1/s1.
What are the key properties of 1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea?
1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea has a molecular weight of 307.18 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea is sourced from PubChem (CID 94199882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).