1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea

C19H24FN3O2 — CID 78880262

IUPAC1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NC(CN(C)C)c2ccccc2)cc1F
InChIInChI=1S/C19H24FN3O2/c1-23(2)13-17(15-7-5-4-6-8-15)22-19(24)21-12-14-9-10-18(25-3)16(20)11-14/h4-11,17H,12-13H2,1-3H3,(H2,21,22,24)
InChIKeyJUXQWKRHXZBOKW-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.94
Rot. Bonds7

About 1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea

1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea (PubChem CID 78880262) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea
PubChem CID78880262
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)NC(CN(C)C)c2ccccc2)cc1F
InChIInChI=1S/C19H24FN3O2/c1-23(2)13-17(15-7-5-4-6-8-15)22-19(24)21-12-14-9-10-18(25-3)16(20)11-14/h4-11,17H,12-13H2,1-3H3,(H2,21,22,24)
InChIKeyJUXQWKRHXZBOKW-UHFFFAOYSA-N
XLogP2.94
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 86994324
1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895473
3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide
CID 86994360
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethyl]urea
CID 47087770
1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895751
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2-dimethyl-1-phenylpropyl)urea
CID 55769817
2-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]butanamide
CID 110779959
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 18088306
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 55257635

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea (CID 78880262) is 1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)NC(CN(C)C)c2ccccc2)cc1F.
What is the InChIKey of 1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea?
The InChIKey is JUXQWKRHXZBOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-23(2)13-17(15-7-5-4-6-8-15)22-19(24)21-12-14-9-10-18(25-3)16(20)11-14/h4-11,17H,12-13H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea?
1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea has a molecular weight of 345.42 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 78880262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).