1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea

C18H19FN2O — CID 41257535

IUPAC1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)N[C@@H](c1ccccc1)C1CC1
InChIInChI=1S/C18H19FN2O/c19-16-10-6-13(7-11-16)12-20-18(22)21-17(15-8-9-15)14-4-2-1-3-5-14/h1-7,10-11,15,17H,8-9,12H2,(H2,20,21,22)/t17-/m0/s1
InChIKeyKLINLXRCGGTWRV-KRWDZBQOSA-N
MW298.36 g/mol
LogP3.78
Rot. Bonds5

About 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea

1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea (PubChem CID 41257535) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
PubChem CID41257535
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)N[C@@H](c1ccccc1)C1CC1
InChIInChI=1S/C18H19FN2O/c19-16-10-6-13(7-11-16)12-20-18(22)21-17(15-8-9-15)14-4-2-1-3-5-14/h1-7,10-11,15,17H,8-9,12H2,(H2,20,21,22)/t17-/m0/s1
InChIKeyKLINLXRCGGTWRV-KRWDZBQOSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(S)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257538
1-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(pyridin-4-ylmethyl)urea
CID 95977808
N-benzyl-N'-[(S)-cyclopropyl(phenyl)methyl]oxamide
CID 99792859
N-benzyl-N'-[(R)-cyclopropyl(phenyl)methyl]oxamide
CID 99792858
1-[(4-fluorophenyl)methyl]-3-(1-phenylethyl)urea
CID 51290878
1-[cyclopropyl(phenyl)methyl]-3-(2-phenylethyl)urea
CID 42886062
1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 51469806
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111109592
1-[cyclopropyl-(4-fluorophenyl)methyl]-3-(3-methylbutyl)urea
CID 86900807
1-[cyclopropyl(phenyl)methyl]-3-[[3-(methanesulfonamido)phenyl]methyl]urea
CID 17460566
1-[cyclopropyl(phenyl)methyl]-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 43061406
N-benzyl-2-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 110355576

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea (CID 41257535) is 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea is O=C(NCc1ccc(F)cc1)N[C@@H](c1ccccc1)C1CC1.
What is the InChIKey of 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is KLINLXRCGGTWRV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-16-10-6-13(7-11-16)12-20-18(22)21-17(15-8-9-15)14-4-2-1-3-5-14/h1-7,10-11,15,17H,8-9,12H2,(H2,20,21,22)/t17-/m0/s1.
What are the key properties of 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea?
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 298.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 41257535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).