3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea

C16H17ClN2O2 — CID 108991522

IUPAC3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
SMILESCCN(C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H17ClN2O2/c1-3-19(13-7-5-4-6-8-13)16(20)18-12-9-10-15(21-2)14(17)11-12/h4-11H,3H2,1-2H3,(H,18,20)
InChIKeyJOUKLCBDLAPRRJ-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.41
Rot. Bonds4

About 3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea

3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea (PubChem CID 108991522) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
PubChem CID108991522
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
SMILESCCN(C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1
InChIInChI=1S/C16H17ClN2O2/c1-3-19(13-7-5-4-6-8-13)16(20)18-12-9-10-15(21-2)14(17)11-12/h4-11H,3H2,1-2H3,(H,18,20)
InChIKeyJOUKLCBDLAPRRJ-UHFFFAOYSA-N
XLogP4.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-N'-ethyl-2,2-dimethyl-N'-phenylpropanediamide
CID 108968333
6-(3-chloro-4-methoxyanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112849522
N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357414
1-(3-aminophenyl)-3-(3,4-dichlorophenyl)-1-ethylurea
CID 63229714
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-ethyl-N-phenylacetamide
CID 112996961
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
3-(4-tert-butylphenyl)-1-ethyl-1-phenylurea
CID 108884791
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113128426
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide
CID 110418941
ethyl 2-[[2-(3-chloro-4-methoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501132
(2R)-2-chloro-N-(3-chloro-4-methoxyphenyl)-2-phenylacetamide
CID 2392261
3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108886137

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea (CID 108991522) is 3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea is CCN(C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea?
The InChIKey is JOUKLCBDLAPRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-19(13-7-5-4-6-8-13)16(20)18-12-9-10-15(21-2)14(17)11-12/h4-11H,3H2,1-2H3,(H,18,20).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea?
3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea has a molecular weight of 304.78 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea is sourced from PubChem (CID 108991522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).