1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea

C17H19ClN2O4 — CID 108879704

IUPAC1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(C)Oc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H19ClN2O4/c1-11(24-14-7-4-12(18)5-8-14)19-17(21)20-13-6-9-15(22-2)16(10-13)23-3/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyPLSNTPMMZZBZIS-UHFFFAOYSA-N
MW350.80 g/mol
LogP3.90
Rot. Bonds6

About 1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea

1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea (PubChem CID 108879704) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is 1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea
PubChem CID108879704
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Name1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC(C)Oc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C17H19ClN2O4/c1-11(24-14-7-4-12(18)5-8-14)19-17(21)20-13-6-9-15(22-2)16(10-13)23-3/h4-11H,1-3H3,(H2,19,20,21)
InChIKeyPLSNTPMMZZBZIS-UHFFFAOYSA-N
XLogP3.90
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 2088418
4-[1-(4-chlorophenoxy)ethylcarbamoylamino]benzoic acid
CID 108879726
3-[1-(4-chlorophenoxy)ethylcarbamoylamino]benzoic acid
CID 108879707
1-[1-(4-chlorophenoxy)ethyl]-3-(2-methoxy-4-nitrophenyl)urea
CID 108879805
1-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108991931
1-[1-(4-chlorophenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 108879801
1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4995213
1-[1-(4-chlorophenoxy)ethyl]-3-pyrimidin-2-ylurea
CID 108879855
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847
1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 47032164
(2R)-2-(2-bromo-4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 8728140
2-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)carbamoylamino]acetic acid
CID 119037269

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea?
The IUPAC name of 1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea (CID 108879704) is 1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea?
The canonical SMILES for 1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea is COc1ccc(NC(=O)NC(C)Oc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea?
The InChIKey is PLSNTPMMZZBZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-11(24-14-7-4-12(18)5-8-14)19-17(21)20-13-6-9-15(22-2)16(10-13)23-3/h4-11H,1-3H3,(H2,19,20,21).
What are the key properties of 1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea?
1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea has a molecular weight of 350.80 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea is sourced from PubChem (CID 108879704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).