3-(4,5-difluoro-2-methoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea

C15H22F2N2O4 — CID 126796657

IUPAC3-(4,5-difluoro-2-methoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea
SMILESCOc1cc(F)c(F)cc1NC(=O)N(CCOCCO)C(C)C
InChIInChI=1S/C15H22F2N2O4/c1-10(2)19(4-6-23-7-5-20)15(21)18-13-8-11(16)12(17)9-14(13)22-3/h8-10,20H,4-7H2,1-3H3,(H,18,21)
InChIKeyMWOZZUNMGDSGFK-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.22
Rot. Bonds8

About 3-(4,5-difluoro-2-methoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea

3-(4,5-difluoro-2-methoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea (PubChem CID 126796657) has the molecular formula C15H22F2N2O4 and a molecular weight of 332.35 g/mol. Its IUPAC name is 3-(4,5-difluoro-2-methoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea.

Molecular Properties

Compound Name3-(4,5-difluoro-2-methoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea
PubChem CID126796657
Molecular FormulaC15H22F2N2O4
Molecular Weight332.35 g/mol
Exact Mass332.15
IUPAC Name3-(4,5-difluoro-2-methoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea
SMILESCOc1cc(F)c(F)cc1NC(=O)N(CCOCCO)C(C)C
InChIInChI=1S/C15H22F2N2O4/c1-10(2)19(4-6-23-7-5-20)15(21)18-13-8-11(16)12(17)9-14(13)22-3/h8-10,20H,4-7H2,1-3H3,(H,18,21)
InChIKeyMWOZZUNMGDSGFK-UHFFFAOYSA-N
XLogP2.22
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.22
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

3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide
CID 136573479
3-(4,5-dichloro-2-pyridinyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea
CID 122131567
1-[2-(2-hydroxyethoxy)ethyl]-3-(2-methyl-3-nitrophenyl)-1-propan-2-ylurea
CID 126797941
3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61184429
4-chloro-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82937979
5-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82939590
4-bromo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82939588
5-iodo-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 82938292
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
3-[4-chloro-3-(difluoromethoxy)phenyl]-1-(2-hydroxyethyl)-1-propan-2-ylurea
CID 75505419
1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108875526
3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
CID 82938747

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-difluoro-2-methoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea?
The IUPAC name of 3-(4,5-difluoro-2-methoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea (CID 126796657) is 3-(4,5-difluoro-2-methoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea.
What is the SMILES notation for 3-(4,5-difluoro-2-methoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea?
The canonical SMILES for 3-(4,5-difluoro-2-methoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea is COc1cc(F)c(F)cc1NC(=O)N(CCOCCO)C(C)C.
What is the InChIKey of 3-(4,5-difluoro-2-methoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea?
The InChIKey is MWOZZUNMGDSGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O4/c1-10(2)19(4-6-23-7-5-20)15(21)18-13-8-11(16)12(17)9-14(13)22-3/h8-10,20H,4-7H2,1-3H3,(H,18,21).
What are the key properties of 3-(4,5-difluoro-2-methoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea?
3-(4,5-difluoro-2-methoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea has a molecular weight of 332.35 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-difluoro-2-methoxyphenyl)-1-[2-(2-hydroxyethoxy)ethyl]-1-propan-2-ylurea is sourced from PubChem (CID 126796657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).