3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea

C12H17ClN2O2 — CID 110890389

IUPAC3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C12H17ClN2O2/c1-3-15(7-8-16)12(17)14-11-6-4-5-10(13)9(11)2/h4-6,16H,3,7-8H2,1-2H3,(H,14,17)
InChIKeyBPLGRVWETRRCQC-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.49
Rot. Bonds4

About 3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea

3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 110890389) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID110890389
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C12H17ClN2O2/c1-3-15(7-8-16)12(17)14-11-6-4-5-10(13)9(11)2/h4-6,16H,3,7-8H2,1-2H3,(H,14,17)
InChIKeyBPLGRVWETRRCQC-UHFFFAOYSA-N
XLogP2.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide
CID 108951094
3-(2,3-dichlorophenyl)-1,1-diethylurea
CID 4098247
3-(2-chloro-5-fluorophenyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110930823
2-N-(3-chloro-2-methylphenyl)-6-N,6-N-diethylpyridine-2,6-dicarboxamide
CID 109098998
3-[[2-hydroxyethyl(propyl)carbamoyl]amino]-2-methylbenzoic acid
CID 62948763
N-(3-chloro-2-methylphenyl)-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]acetamide
CID 8692061
2-[[butyl(ethyl)carbamoyl]amino]-6-chlorobenzoic acid
CID 63723127
N-(3-chloro-2-methylphenyl)-2-[2-hydroxyethyl(3-hydroxypropyl)amino]acetamide
CID 111112543
N-(3-chloro-2-methylphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
CID 112763311
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
3-[(3-chloro-2-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61182598
2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 107437366

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea (CID 110890389) is 3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is BPLGRVWETRRCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-15(7-8-16)12(17)14-11-6-4-5-10(13)9(11)2/h4-6,16H,3,7-8H2,1-2H3,(H,14,17).
What are the key properties of 3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea?
3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 256.73 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 110890389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).