1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea

C19H24FN3O2 — CID 111751057

IUPAC1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESCN(CCNC(=O)NCc1ccccc1CO)Cc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O2/c1-23(13-15-6-8-18(20)9-7-15)11-10-21-19(25)22-12-16-4-2-3-5-17(16)14-24/h2-9,24H,10-14H2,1H3,(H2,21,22,25)
InChIKeyYTVFPPLXGGKUSB-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.25
Rot. Bonds8

About 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea

1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea (PubChem CID 111751057) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
PubChem CID111751057
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
SMILESCN(CCNC(=O)NCc1ccccc1CO)Cc1ccc(F)cc1
InChIInChI=1S/C19H24FN3O2/c1-23(13-15-6-8-18(20)9-7-15)11-10-21-19(25)22-12-16-4-2-3-5-17(16)14-24/h2-9,24H,10-14H2,1H3,(H2,21,22,25)
InChIKeyYTVFPPLXGGKUSB-UHFFFAOYSA-N
XLogP2.25
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,5-difluorophenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924408
1-[2-[di(propan-2-yl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110911654
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 111751267
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea
CID 154749821
1-[3-[4-(dimethylamino)phenyl]propyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924358
1-[2-[benzyl(methyl)amino]ethyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111232999
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924420
tert-butyl N-[2-[(4-fluorophenyl)methylcarbamoylamino]ethyl]-N-methylcarbamate
CID 51134937
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea
CID 122565152
2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride
CID 119896383
1-[2-(2-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 3255337
1-[4-[(4-fluorophenyl)methyl-methylamino]butyl]-3-phenylurea
CID 11674321

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea (CID 111751057) is 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea is CN(CCNC(=O)NCc1ccccc1CO)Cc1ccc(F)cc1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
The InChIKey is YTVFPPLXGGKUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-23(13-15-6-8-18(20)9-7-15)11-10-21-19(25)22-12-16-4-2-3-5-17(16)14-24/h2-9,24H,10-14H2,1H3,(H2,21,22,25).
What are the key properties of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea?
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea has a molecular weight of 345.42 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 111751057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).