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

C17H16F4N2O3 — CID 59649481

IUPAC1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea
SMILESO=C(NCCc1cccc(OC(F)F)c1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H16F4N2O3/c18-15(19)25-13-6-4-12(5-7-13)23-17(24)22-9-8-11-2-1-3-14(10-11)26-16(20)21/h1-7,10,15-16H,8-9H2,(H2,22,23,24)
InChIKeyBGIXZCSMOYXAIT-UHFFFAOYSA-N
MW372.32 g/mol
LogP4.25
Rot. Bonds8

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

1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea (PubChem CID 59649481) has the molecular formula C17H16F4N2O3 and a molecular weight of 372.32 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea
PubChem CID59649481
Molecular FormulaC17H16F4N2O3
Molecular Weight372.32 g/mol
Exact Mass372.11
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea
SMILESO=C(NCCc1cccc(OC(F)F)c1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H16F4N2O3/c18-15(19)25-13-6-4-12(5-7-13)23-17(24)22-9-8-11-2-1-3-14(10-11)26-16(20)21/h1-7,10,15-16H,8-9H2,(H2,22,23,24)
InChIKeyBGIXZCSMOYXAIT-UHFFFAOYSA-N
XLogP4.25
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3-[2-(3-fluorophenyl)ethyl]urea
CID 11573369
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea
CID 46486374
1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55738771
1-[4-(difluoromethoxy)phenyl]-3-[2-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 11624959
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea
CID 51944880
2-[3-[2-(3-propan-2-yloxyphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 118791176
1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
CID 47196832
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 32523814
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
4-[2-(3-fluorophenyl)ethylcarbamoylamino]benzoic acid
CID 108901120

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea (CID 59649481) is 1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea is O=C(NCCc1cccc(OC(F)F)c1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea?
The InChIKey is BGIXZCSMOYXAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O3/c18-15(19)25-13-6-4-12(5-7-13)23-17(24)22-9-8-11-2-1-3-14(10-11)26-16(20)21/h1-7,10,15-16H,8-9H2,(H2,22,23,24).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea?
1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea has a molecular weight of 372.32 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-[2-[3-(difluoromethoxy)phenyl]ethyl]urea is sourced from PubChem (CID 59649481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).