1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea

C18H21ClN2O4 — CID 112975628

IUPAC1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
SMILESCOc1cc(OC)cc(OCCNC(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C18H21ClN2O4/c1-23-14-9-15(24-2)11-16(10-14)25-8-7-20-18(22)21-12-13-5-3-4-6-17(13)19/h3-6,9-11H,7-8,12H2,1-2H3,(H2,20,21,22)
InChIKeySRBKBIVTLPHHPC-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.24
Rot. Bonds8

About 1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea

1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea (PubChem CID 112975628) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
PubChem CID112975628
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
SMILESCOc1cc(OC)cc(OCCNC(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C18H21ClN2O4/c1-23-14-9-15(24-2)11-16(10-14)25-8-7-20-18(22)21-12-13-5-3-4-6-17(13)19/h3-6,9-11H,7-8,12H2,1-2H3,(H2,20,21,22)
InChIKeySRBKBIVTLPHHPC-UHFFFAOYSA-N
XLogP3.24
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108897731
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-chlorophenyl)methyl]urea
CID 112970907
1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969922
1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975273
1-[2-(3-methoxyphenoxy)ethyl]-3-[(2-methylphenyl)methyl]urea
CID 35646115
1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974570
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 112975641
1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975702
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 109021354
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea (CID 112975628) is 1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea is COc1cc(OC)cc(OCCNC(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea?
The InChIKey is SRBKBIVTLPHHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-23-14-9-15(24-2)11-16(10-14)25-8-7-20-18(22)21-12-13-5-3-4-6-17(13)19/h3-6,9-11H,7-8,12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea?
1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea has a molecular weight of 364.83 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea is sourced from PubChem (CID 112975628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).