1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea

C18H21FN2O4 — CID 34699932

IUPAC1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea
SMILESCOCCOc1cc(NC(=O)NCc2ccccc2F)ccc1OC
InChIInChI=1S/C18H21FN2O4/c1-23-9-10-25-17-11-14(7-8-16(17)24-2)21-18(22)20-12-13-5-3-4-6-15(13)19/h3-8,11H,9-10,12H2,1-2H3,(H2,20,21,22)
InChIKeyBXIYTNQOTNBSRI-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.18
Rot. Bonds8

About 1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea

1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea (PubChem CID 34699932) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea
PubChem CID34699932
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Name1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea
SMILESCOCCOc1cc(NC(=O)NCc2ccccc2F)ccc1OC
InChIInChI=1S/C18H21FN2O4/c1-23-9-10-25-17-11-14(7-8-16(17)24-2)21-18(22)20-12-13-5-3-4-6-15(13)19/h3-8,11H,9-10,12H2,1-2H3,(H2,20,21,22)
InChIKeyBXIYTNQOTNBSRI-UHFFFAOYSA-N
XLogP3.18
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.18
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-fluorophenyl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970798
1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060
1-(3-ethoxy-4-methoxyphenyl)-3-[[2-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 55793735
N-[2-[(2-fluorophenyl)methylamino]ethyl]-3,4-dimethoxybenzamide
CID 4612534
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924
(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 119289355
2-(5-acetamido-2-methoxyanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 31673267
2-(3,4-dimethoxyanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305458
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
(2S)-N-[(2-fluorophenyl)methyl]-2-[4-(2-methoxyethoxy)anilino]propanamide
CID 96549747
1-[(2-fluorophenyl)methyl]-3-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]urea
CID 175962958

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea (CID 34699932) is 1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea is COCCOc1cc(NC(=O)NCc2ccccc2F)ccc1OC.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea?
The InChIKey is BXIYTNQOTNBSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-23-9-10-25-17-11-14(7-8-16(17)24-2)21-18(22)20-12-13-5-3-4-6-15(13)19/h3-8,11H,9-10,12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea?
1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea has a molecular weight of 348.37 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-[4-methoxy-3-(2-methoxyethoxy)phenyl]urea is sourced from PubChem (CID 34699932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).