1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea

C15H16ClN3O2 — CID 63121094

IUPAC1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea
SMILESNCCOc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H16ClN3O2/c16-11-4-6-12(7-5-11)18-15(20)19-13-2-1-3-14(10-13)21-9-8-17/h1-7,10H,8-9,17H2,(H2,18,19,20)
InChIKeyMDFCSOLHTKGAGH-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.32
Rot. Bonds5

About 1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea

1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea (PubChem CID 63121094) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea
PubChem CID63121094
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea
SMILESNCCOc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H16ClN3O2/c16-11-4-6-12(7-5-11)18-15(20)19-13-2-1-3-14(10-13)21-9-8-17/h1-7,10H,8-9,17H2,(H2,18,19,20)
InChIKeyMDFCSOLHTKGAGH-UHFFFAOYSA-N
XLogP3.32
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
CID 17133168
N-[3-(2-aminoethoxy)phenyl]-2,5-dichlorobenzamide
CID 63121176
1-(3-chlorophenyl)-3-(3-propoxyphenyl)urea
CID 17096715
N-[3-(2-aminoethoxy)phenyl]-2-bromo-4-chlorobenzamide
CID 103806449
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea
CID 55910965
N-[3-(2-aminoethoxy)phenyl]-2-methoxyacetamide
CID 61277360
N-[3-(2-aminoethoxy)phenyl]-3-chloro-4-hydroxybenzamide
CID 63121177
4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide
CID 63120956
1-(3-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
CID 17133229
N-[3-(2-aminoethoxy)phenyl]-4-iodobenzamide
CID 63121269
2-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123541

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea (CID 63121094) is 1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea is NCCOc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea?
The InChIKey is MDFCSOLHTKGAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-11-4-6-12(7-5-11)18-15(20)19-13-2-1-3-14(10-13)21-9-8-17/h1-7,10H,8-9,17H2,(H2,18,19,20).
What are the key properties of 1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea?
1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea has a molecular weight of 305.77 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethoxy)phenyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 63121094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).