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

C21H26FN3O — CID 78886107

IUPAC1-[2-(dimethylamino)-1-phenylethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
SMILESCN(C)CC(NC(=O)NCC1(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H26FN3O/c1-25(2)14-19(16-6-4-3-5-7-16)24-20(26)23-15-21(12-13-21)17-8-10-18(22)11-9-17/h3-11,19H,12-15H2,1-2H3,(H2,23,24,26)
InChIKeyGSPXBJRWWAVTJV-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.46
Rot. Bonds7

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

1-[2-(dimethylamino)-1-phenylethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea (PubChem CID 78886107) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1-phenylethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1-phenylethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
PubChem CID78886107
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name1-[2-(dimethylamino)-1-phenylethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
SMILESCN(C)CC(NC(=O)NCC1(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C21H26FN3O/c1-25(2)14-19(16-6-4-3-5-7-16)24-20(26)23-15-21(12-13-21)17-8-10-18(22)11-9-17/h3-11,19H,12-15H2,1-2H3,(H2,23,24,26)
InChIKeyGSPXBJRWWAVTJV-UHFFFAOYSA-N
XLogP3.46
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-(dimethylamino)-1-phenylethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea with MolForge

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Related Compounds

1-butan-2-yl-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214285
2-(dimethylamino)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]acetamide
CID 110479728
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 112828675
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110896199
1-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1-phenylcyclopropyl)methyl]urea
CID 42954354
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-phenylpropanamide
CID 119293561
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
CID 78881535
1-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(3-hydroxybutyl)urea
CID 111337214
1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 60544381
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119950889

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea (CID 78886107) is 1-[2-(dimethylamino)-1-phenylethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-1-phenylethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-1-phenylethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea is CN(C)CC(NC(=O)NCC1(c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)-1-phenylethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea?
The InChIKey is GSPXBJRWWAVTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-25(2)14-19(16-6-4-3-5-7-16)24-20(26)23-15-21(12-13-21)17-8-10-18(22)11-9-17/h3-11,19H,12-15H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-[2-(dimethylamino)-1-phenylethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea?
1-[2-(dimethylamino)-1-phenylethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea has a molecular weight of 355.46 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1-phenylethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 78886107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).