1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea

C20H24FN3O2 — CID 42890407

IUPAC1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
SMILESO=C(NCc1ccc(F)cc1)NCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H24FN3O2/c21-18-8-6-16(7-9-18)14-22-20(25)23-15-19(17-4-2-1-3-5-17)24-10-12-26-13-11-24/h1-9,19H,10-15H2,(H2,22,23,25)
InChIKeyHQBYAAZBLVYVBQ-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.70
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea

1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea (PubChem CID 42890407) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
PubChem CID42890407
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
SMILESO=C(NCc1ccc(F)cc1)NCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C20H24FN3O2/c21-18-8-6-16(7-9-18)14-22-20(25)23-15-19(17-4-2-1-3-5-17)24-10-12-26-13-11-24/h1-9,19H,10-15H2,(H2,22,23,25)
InChIKeyHQBYAAZBLVYVBQ-UHFFFAOYSA-N
XLogP2.70
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-fluorophenyl)ethyl]-3-[(2R)-2-morpholin-4-yl-2-phenylethyl]urea
CID 51934907
1-[(4-chlorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 42890774
1-[(4-fluorophenyl)methyl]-3-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]urea
CID 30521535
1-[(1-methylpyrrol-3-yl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea
CID 71980803
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749
1-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 42928186
N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51163264
N'-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 30835452
1-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-phenylethyl)urea
CID 60592399
1-benzyl-3-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]urea
CID 47012803
1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 46555638
N-[(4-fluorophenyl)methyl]-N'-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]oxamide
CID 30835087

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea (CID 42890407) is 1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea is O=C(NCc1ccc(F)cc1)NCC(c1ccccc1)N1CCOCC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea?
The InChIKey is HQBYAAZBLVYVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-18-8-6-16(7-9-18)14-22-20(25)23-15-19(17-4-2-1-3-5-17)24-10-12-26-13-11-24/h1-9,19H,10-15H2,(H2,22,23,25).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea?
1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea has a molecular weight of 357.43 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-(2-morpholin-4-yl-2-phenylethyl)urea is sourced from PubChem (CID 42890407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).