3-[3-chloro-4-(2-phenylethoxy)phenyl]-1,1-diethylurea

C19H23ClN2O2 — CID 12942091

IUPAC3-[3-chloro-4-(2-phenylethoxy)phenyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc(OCCc2ccccc2)c(Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-3-22(4-2)19(23)21-16-10-11-18(17(20)14-16)24-13-12-15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)
InChIKeyLDFSTZMMJHCJSW-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.84
Rot. Bonds7

About 3-[3-chloro-4-(2-phenylethoxy)phenyl]-1,1-diethylurea

3-[3-chloro-4-(2-phenylethoxy)phenyl]-1,1-diethylurea (PubChem CID 12942091) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-[3-chloro-4-(2-phenylethoxy)phenyl]-1,1-diethylurea.

Molecular Properties

Compound Name3-[3-chloro-4-(2-phenylethoxy)phenyl]-1,1-diethylurea
PubChem CID12942091
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name3-[3-chloro-4-(2-phenylethoxy)phenyl]-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1ccc(OCCc2ccccc2)c(Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-3-22(4-2)19(23)21-16-10-11-18(17(20)14-16)24-13-12-15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)
InChIKeyLDFSTZMMJHCJSW-UHFFFAOYSA-N
XLogP4.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-chloro-4-(7-phenylheptoxy)phenyl]-1,1-dimethylurea
CID 20566600
1-[3-chloro-4-(3-phenylpropoxy)phenyl]-3-methylurea
CID 12942090
N-(3-chloro-4-methoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628178
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
3-(3-chloro-4-ethoxyphenyl)-1,1-dimethylurea
CID 19834572
3-[4-(3-bromo-3-phenylpropoxy)-3-chlorophenyl]-1,1-dimethylurea
CID 54097189
N-(3-chloro-4-methoxyphenyl)-3-(2-phenylethoxy)benzamide
CID 17134395
N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823702
3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
CID 108991522
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea
CID 60614683
2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide
CID 39171702

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-(2-phenylethoxy)phenyl]-1,1-diethylurea?
The IUPAC name of 3-[3-chloro-4-(2-phenylethoxy)phenyl]-1,1-diethylurea (CID 12942091) is 3-[3-chloro-4-(2-phenylethoxy)phenyl]-1,1-diethylurea.
What is the SMILES notation for 3-[3-chloro-4-(2-phenylethoxy)phenyl]-1,1-diethylurea?
The canonical SMILES for 3-[3-chloro-4-(2-phenylethoxy)phenyl]-1,1-diethylurea is CCN(CC)C(=O)Nc1ccc(OCCc2ccccc2)c(Cl)c1.
What is the InChIKey of 3-[3-chloro-4-(2-phenylethoxy)phenyl]-1,1-diethylurea?
The InChIKey is LDFSTZMMJHCJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-3-22(4-2)19(23)21-16-10-11-18(17(20)14-16)24-13-12-15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23).
What are the key properties of 3-[3-chloro-4-(2-phenylethoxy)phenyl]-1,1-diethylurea?
3-[3-chloro-4-(2-phenylethoxy)phenyl]-1,1-diethylurea has a molecular weight of 346.86 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-(2-phenylethoxy)phenyl]-1,1-diethylurea is sourced from PubChem (CID 12942091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).