3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea

C19H23F2N3O — CID 60605391

IUPAC3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea
SMILESCCN(Cc1cccc(F)c1)C(=O)NCc1ccc(N(C)C)c(F)c1
InChIInChI=1S/C19H23F2N3O/c1-4-24(13-15-6-5-7-16(20)10-15)19(25)22-12-14-8-9-18(23(2)3)17(21)11-14/h5-11H,4,12-13H2,1-3H3,(H,22,25)
InChIKeyYFEAJLFMLWMSGN-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.76
Rot. Bonds6

About 3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea

3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea (PubChem CID 60605391) has the molecular formula C19H23F2N3O and a molecular weight of 347.41 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea
PubChem CID60605391
Molecular FormulaC19H23F2N3O
Molecular Weight347.41 g/mol
Exact Mass347.18
IUPAC Name3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea
SMILESCCN(Cc1cccc(F)c1)C(=O)NCc1ccc(N(C)C)c(F)c1
InChIInChI=1S/C19H23F2N3O/c1-4-24(13-15-6-5-7-16(20)10-15)19(25)22-12-14-8-9-18(23(2)3)17(21)11-14/h5-11H,4,12-13H2,1-3H3,(H,22,25)
InChIKeyYFEAJLFMLWMSGN-UHFFFAOYSA-N
XLogP3.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-methylurea
CID 60605444
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 55484556
1-benzyl-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 38151425
3-[(3,4-difluorophenyl)methyl]-1,1-diethylurea
CID 115593148
1-benzyl-3-[(3-chlorophenyl)methyl]-1-ethylurea
CID 110301185
3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 38162216
3-(2,3-dihydro-1H-inden-5-ylmethyl)-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78891504
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 60655580
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
1-[2-(dimethylamino)ethyl]-1-[(3-fluorophenyl)methyl]-3-prop-2-enylurea
CID 86862869
3-[(2-ethoxy-4-pyridinyl)methyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78889802

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea?
The IUPAC name of 3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea (CID 60605391) is 3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea.
What is the SMILES notation for 3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea?
The canonical SMILES for 3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea is CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(N(C)C)c(F)c1.
What is the InChIKey of 3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea?
The InChIKey is YFEAJLFMLWMSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O/c1-4-24(13-15-6-5-7-16(20)10-15)19(25)22-12-14-8-9-18(23(2)3)17(21)11-14/h5-11H,4,12-13H2,1-3H3,(H,22,25).
What are the key properties of 3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea?
3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea has a molecular weight of 347.41 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea is sourced from PubChem (CID 60605391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).