1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea

C18H21F2N3O2 — CID 110910380

IUPAC1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
SMILESCN(C)c1ccc(CNC(=O)NCC(O)c2ccccc2F)cc1F
InChIInChI=1S/C18H21F2N3O2/c1-23(2)16-8-7-12(9-15(16)20)10-21-18(25)22-11-17(24)13-5-3-4-6-14(13)19/h3-9,17,24H,10-11H2,1-2H3,(H2,21,22,25)
InChIKeyOEUCSAYLCHSGQX-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.56
Rot. Bonds6

About 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea

1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea (PubChem CID 110910380) has the molecular formula C18H21F2N3O2 and a molecular weight of 349.38 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
PubChem CID110910380
Molecular FormulaC18H21F2N3O2
Molecular Weight349.38 g/mol
Exact Mass349.16
IUPAC Name1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
SMILESCN(C)c1ccc(CNC(=O)NCC(O)c2ccccc2F)cc1F
InChIInChI=1S/C18H21F2N3O2/c1-23(2)16-8-7-12(9-15(16)20)10-21-18(25)22-11-17(24)13-5-3-4-6-14(13)19/h3-9,17,24H,10-11H2,1-2H3,(H2,21,22,25)
InChIKeyOEUCSAYLCHSGQX-UHFFFAOYSA-N
XLogP2.56
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 110893422
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 75887806
1-[(3-ethoxyphenyl)methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 110893418
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110910378
1-(4-ethylphenyl)-3-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 51944583
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[(1-methylcyclopentyl)methyl]urea
CID 111110057
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933832
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-[4-(4-hydroxyphenyl)butan-2-yl]urea
CID 110895529
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 55929980
1-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-prop-2-enylurea
CID 47176500
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497488
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86870833

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea (CID 110910380) is 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea is CN(C)c1ccc(CNC(=O)NCC(O)c2ccccc2F)cc1F.
What is the InChIKey of 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
The InChIKey is OEUCSAYLCHSGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O2/c1-23(2)16-8-7-12(9-15(16)20)10-21-18(25)22-11-17(24)13-5-3-4-6-14(13)19/h3-9,17,24H,10-11H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea?
1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea has a molecular weight of 349.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)-3-fluorophenyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 110910380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).