1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea

C19H21FN2O — CID 38948033

IUPAC1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea
SMILESCc1ccc([C@H](NC(=O)NCc2ccccc2F)C2CC2)cc1
InChIInChI=1S/C19H21FN2O/c1-13-6-8-14(9-7-13)18(15-10-11-15)22-19(23)21-12-16-4-2-3-5-17(16)20/h2-9,15,18H,10-12H2,1H3,(H2,21,22,23)/t18-/m0/s1
InChIKeyPPZOQBFXIJXDCV-SFHVURJKSA-N
MW312.39 g/mol
LogP4.08
Rot. Bonds5

About 1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea

1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea (PubChem CID 38948033) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea
PubChem CID38948033
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea
SMILESCc1ccc([C@H](NC(=O)NCc2ccccc2F)C2CC2)cc1
InChIInChI=1S/C19H21FN2O/c1-13-6-8-14(9-7-13)18(15-10-11-15)22-19(23)21-12-16-4-2-3-5-17(16)20/h2-9,15,18H,10-12H2,1H3,(H2,21,22,23)/t18-/m0/s1
InChIKeyPPZOQBFXIJXDCV-SFHVURJKSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[cyclopropyl-(4-methylphenyl)methyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 71981475
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535
1-[(S)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257538
1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 46673701
N-[2-[[cyclopropyl(phenyl)methyl]carbamoylamino]ethyl]-3-fluoro-4-methylbenzamide
CID 42954573
1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426672
N-[cyclopropyl-(4-methylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 55524481
1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 51469806
1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 51274243
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 97314286
1-[cyclopropyl-(4-methylphenyl)methyl]-3-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)urea
CID 111438060
N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide
CID 47134375

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea (CID 38948033) is 1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea is Cc1ccc([C@H](NC(=O)NCc2ccccc2F)C2CC2)cc1.
What is the InChIKey of 1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea?
The InChIKey is PPZOQBFXIJXDCV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-13-6-8-14(9-7-13)18(15-10-11-15)22-19(23)21-12-16-4-2-3-5-17(16)20/h2-9,15,18H,10-12H2,1H3,(H2,21,22,23)/t18-/m0/s1.
What are the key properties of 1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea?
1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea has a molecular weight of 312.39 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 38948033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).