1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea

C18H22FN3O2 — CID 60609367

IUPAC1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea
SMILESCN(C)CCN(Cc1cccc(O)c1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H22FN3O2/c1-21(2)9-10-22(13-14-5-3-8-17(23)11-14)18(24)20-16-7-4-6-15(19)12-16/h3-8,11-12,23H,9-10,13H2,1-2H3,(H,20,24)
InChIKeyRFYFPZOADBHQCQ-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.13
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea

1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea (PubChem CID 60609367) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea
PubChem CID60609367
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea
SMILESCN(C)CCN(Cc1cccc(O)c1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H22FN3O2/c1-21(2)9-10-22(13-14-5-3-8-17(23)11-14)18(24)20-16-7-4-6-15(19)12-16/h3-8,11-12,23H,9-10,13H2,1-2H3,(H,20,24)
InChIKeyRFYFPZOADBHQCQ-UHFFFAOYSA-N
XLogP3.13
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-(3-phenylpropyl)urea
CID 47081834
1-[2-(dimethylamino)ethyl]-1-[(3-hydroxyphenyl)methyl]-3-(6-methoxy-3-pyridinyl)urea
CID 47848491
1-[2-(dimethylamino)ethyl]-1-[(3-fluorophenyl)methyl]-3-prop-2-enylurea
CID 86862869
N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 25030763
1-benzyl-1-[2-(dimethylamino)ethyl]-3-(4-ethylphenyl)urea
CID 23931180
3-(3-acetylphenyl)-1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)urea
CID 52662096
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
1-[(3-fluorophenyl)methyl]-3-[3-(methoxymethyl)phenyl]-1-methylurea
CID 86988690
2-cyclopentylidene-N-[2-(dimethylamino)ethyl]-N-[(3-hydroxyphenyl)methyl]propanamide
CID 84592072
1-benzyl-3-(3-fluorophenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 1057646
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-fluorophenyl)-1-[(3-phenylmethoxyphenyl)methyl]urea
CID 42707828

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea (CID 60609367) is 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea is CN(C)CCN(Cc1cccc(O)c1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea?
The InChIKey is RFYFPZOADBHQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-21(2)9-10-22(13-14-5-3-8-17(23)11-14)18(24)20-16-7-4-6-15(19)12-16/h3-8,11-12,23H,9-10,13H2,1-2H3,(H,20,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea?
1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea has a molecular weight of 331.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-1-[(3-hydroxyphenyl)methyl]urea is sourced from PubChem (CID 60609367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).