1-(2-chloro-4,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea

C17H17ClF2N2O3 — CID 1102235

IUPAC1-(2-chloro-4,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2cc(F)c(F)cc2Cl)cc1OC
InChIInChI=1S/C17H17ClF2N2O3/c1-24-15-4-3-10(7-16(15)25-2)5-6-21-17(23)22-14-9-13(20)12(19)8-11(14)18/h3-4,7-9H,5-6H2,1-2H3,(H2,21,22,23)
InChIKeySUVGXZLAGWPTDN-UHFFFAOYSA-N
MW370.78 g/mol
LogP4.00
Rot. Bonds6

About 1-(2-chloro-4,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea

1-(2-chloro-4,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea (PubChem CID 1102235) has the molecular formula C17H17ClF2N2O3 and a molecular weight of 370.78 g/mol. Its IUPAC name is 1-(2-chloro-4,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
PubChem CID1102235
Molecular FormulaC17H17ClF2N2O3
Molecular Weight370.78 g/mol
Exact Mass370.09
IUPAC Name1-(2-chloro-4,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2cc(F)c(F)cc2Cl)cc1OC
InChIInChI=1S/C17H17ClF2N2O3/c1-24-15-4-3-10(7-16(15)25-2)5-6-21-17(23)22-14-9-13(20)12(19)8-11(14)18/h3-4,7-9H,5-6H2,1-2H3,(H2,21,22,23)
InChIKeySUVGXZLAGWPTDN-UHFFFAOYSA-N
XLogP4.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.78
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

AG-26
CID 727787
1-(2,4-Difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
1-[2-(3,4-Diethoxyphenyl)ethyl]-3-(2-methylphenyl)urea
CID 934870
Mefeclorazine
CID 3064105
1-(4-Chlorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 727786
N-[2-(4-chlorophenyl)ethyl]-N'-(3,4-dimethoxyphenyl)urea
CID 972007
N-(3-chloro-4-fluorophenyl)-N'-(3,4-dimethoxybenzyl)thiourea
CID 1297290
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-phenylurea
CID 3342378
N-[1-(1,3-Benzodioxol-5-YL)ethyl]-N'-(4-chlorophenyl)urea
CID 24819764
3-(3-Chlorophenyl)-1-(3,4-dimethoxybenzyl)-1-[3-(morpholin-4-yl)propyl]urea
CID 664234
1-[2-(3,4-Diethoxyphenyl)ethyl]-3-(4-fluorophenyl)urea
CID 729222
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-ethoxyphenyl)urea
CID 2215009

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea (CID 1102235) is 1-(2-chloro-4,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-chloro-4,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2-chloro-4,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)Nc2cc(F)c(F)cc2Cl)cc1OC.
What is the InChIKey of 1-(2-chloro-4,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The InChIKey is SUVGXZLAGWPTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF2N2O3/c1-24-15-4-3-10(7-16(15)25-2)5-6-21-17(23)22-14-9-13(20)12(19)8-11(14)18/h3-4,7-9H,5-6H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(2-chloro-4,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea?
1-(2-chloro-4,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea has a molecular weight of 370.78 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 1102235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).