1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea

C16H16F2N2O2 — CID 59649482

IUPAC1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H16F2N2O2/c17-15(18)22-14-8-6-13(7-9-14)20-16(21)19-11-10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H2,19,20,21)
InChIKeyQPUSTBRMPOBVCE-UHFFFAOYSA-N
MW306.31 g/mol
LogP3.65
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea

1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea (PubChem CID 59649482) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
PubChem CID59649482
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
SMILESO=C(NCCc1ccccc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H16F2N2O2/c17-15(18)22-14-8-6-13(7-9-14)20-16(21)19-11-10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H2,19,20,21)
InChIKeyQPUSTBRMPOBVCE-UHFFFAOYSA-N
XLogP3.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea
CID 59649481
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea
CID 46486374
1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 11573369
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 11624959
4-(2-phenylethylcarbamoylamino)benzamide
CID 108888099
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
1-[2-(4-methoxyphenyl)ethyl]-3-(4-phenylphenyl)urea
CID 108867012
2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide
CID 47007122
ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate
CID 47039610
1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
CID 47196832
3-[[4-(difluoromethoxy)phenyl]carbamoylamino]-2-methoxypropanoic acid
CID 106109697

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea (CID 59649482) is 1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea is O=C(NCCc1ccccc1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea?
The InChIKey is QPUSTBRMPOBVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c17-15(18)22-14-8-6-13(7-9-14)20-16(21)19-11-10-12-4-2-1-3-5-12/h1-9,15H,10-11H2,(H2,19,20,21).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea?
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea has a molecular weight of 306.31 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 59649482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).