1,3-bis[4-(difluoromethoxy)phenyl]urea

C15H12F4N2O3 — CID 11537485

IUPAC1,3-bis[4-(difluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)F)cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H12F4N2O3/c16-13(17)23-11-5-1-9(2-6-11)20-15(22)21-10-3-7-12(8-4-10)24-14(18)19/h1-8,13-14H,(H2,20,21,22)
InChIKeyFZVUCIFTSWXOPV-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.53
Rot. Bonds6

About 1,3-bis[4-(difluoromethoxy)phenyl]urea

1,3-bis[4-(difluoromethoxy)phenyl]urea (PubChem CID 11537485) has the molecular formula C15H12F4N2O3 and a molecular weight of 344.26 g/mol. Its IUPAC name is 1,3-bis[4-(difluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1,3-bis[4-(difluoromethoxy)phenyl]urea
PubChem CID11537485
Molecular FormulaC15H12F4N2O3
Molecular Weight344.26 g/mol
Exact Mass344.08
IUPAC Name1,3-bis[4-(difluoromethoxy)phenyl]urea
SMILESO=C(Nc1ccc(OC(F)F)cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H12F4N2O3/c16-13(17)23-11-5-1-9(2-6-11)20-15(22)21-10-3-7-12(8-4-10)24-14(18)19/h1-8,13-14H,(H2,20,21,22)
InChIKeyFZVUCIFTSWXOPV-UHFFFAOYSA-N
XLogP4.53
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[4-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43328949
1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
CID 47196832
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
1-[4-(difluoromethoxy)phenyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111452793
1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 110919120
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
(E)-4-[4-(difluoromethoxy)anilino]-4-oxobut-2-enoic acid
CID 702461
3-[[4-(difluoromethoxy)phenyl]carbamoylamino]-2-methoxypropanoic acid
CID 106109697
1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea
CID 118764369
2-[[4-(difluoromethoxy)phenyl]carbamoylamino]pentanoic acid
CID 61194078

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[4-(difluoromethoxy)phenyl]urea?
The IUPAC name of 1,3-bis[4-(difluoromethoxy)phenyl]urea (CID 11537485) is 1,3-bis[4-(difluoromethoxy)phenyl]urea.
What is the SMILES notation for 1,3-bis[4-(difluoromethoxy)phenyl]urea?
The canonical SMILES for 1,3-bis[4-(difluoromethoxy)phenyl]urea is O=C(Nc1ccc(OC(F)F)cc1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 1,3-bis[4-(difluoromethoxy)phenyl]urea?
The InChIKey is FZVUCIFTSWXOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O3/c16-13(17)23-11-5-1-9(2-6-11)20-15(22)21-10-3-7-12(8-4-10)24-14(18)19/h1-8,13-14H,(H2,20,21,22).
What are the key properties of 1,3-bis[4-(difluoromethoxy)phenyl]urea?
1,3-bis[4-(difluoromethoxy)phenyl]urea has a molecular weight of 344.26 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4-(difluoromethoxy)phenyl]urea is sourced from PubChem (CID 11537485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).