1-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)urea

C17H17F2N3O5 — CID 2206472

IUPAC1-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)NNC(=O)COc2ccc(F)cc2F)c1
InChIInChI=1S/C17H17F2N3O5/c1-25-11-4-6-15(26-2)13(8-11)20-17(24)22-21-16(23)9-27-14-5-3-10(18)7-12(14)19/h3-8H,9H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyDUIRPHPDXXHAKH-UHFFFAOYSA-N
MW381.34 g/mol
LogP2.21
Rot. Bonds6

About 1-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)urea

1-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)urea (PubChem CID 2206472) has the molecular formula C17H17F2N3O5 and a molecular weight of 381.34 g/mol. Its IUPAC name is 1-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)urea
PubChem CID2206472
Molecular FormulaC17H17F2N3O5
Molecular Weight381.34 g/mol
Exact Mass381.11
IUPAC Name1-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)urea
SMILESCOc1ccc(OC)c(NC(=O)NNC(=O)COc2ccc(F)cc2F)c1
InChIInChI=1S/C17H17F2N3O5/c1-25-11-4-6-15(26-2)13(8-11)20-17(24)22-21-16(23)9-27-14-5-3-10(18)7-12(14)19/h3-8H,9H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyDUIRPHPDXXHAKH-UHFFFAOYSA-N
XLogP2.21
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-difluorophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 39908076
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 7962741
1-(5-chloro-2-methoxyphenyl)-3-[[2-(4-ethylphenoxy)acetyl]amino]urea
CID 4055904
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone
CID 78790506
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 1181190
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4,5-dimethoxybenzamide
CID 47085137
N-[1,2-bis(4-methoxyphenyl)ethyl]-2-(2,4-difluorophenoxy)acetamide
CID 43060292
1-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)thiourea
CID 17283054
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)acetamide
CID 1228251

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)urea?
The IUPAC name of 1-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)urea (CID 2206472) is 1-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)urea is COc1ccc(OC)c(NC(=O)NNC(=O)COc2ccc(F)cc2F)c1.
What is the InChIKey of 1-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)urea?
The InChIKey is DUIRPHPDXXHAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O5/c1-25-11-4-6-15(26-2)13(8-11)20-17(24)22-21-16(23)9-27-14-5-3-10(18)7-12(14)19/h3-8H,9H2,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of 1-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)urea?
1-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)urea has a molecular weight of 381.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-(2,5-dimethoxyphenyl)urea is sourced from PubChem (CID 2206472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).