1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea

C12H14F2N2O2 — CID 47196832

IUPAC1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
SMILESO=C(NCC1CC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H14F2N2O2/c13-11(14)18-10-5-3-9(4-6-10)16-12(17)15-7-8-1-2-8/h3-6,8,11H,1-2,7H2,(H2,15,16,17)
InChIKeyXHXKMXNQYZLDOG-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.82
Rot. Bonds5

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

1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea (PubChem CID 47196832) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
PubChem CID47196832
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea
SMILESO=C(NCC1CC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C12H14F2N2O2/c13-11(14)18-10-5-3-9(4-6-10)16-12(17)15-7-8-1-2-8/h3-6,8,11H,1-2,7H2,(H2,15,16,17)
InChIKeyXHXKMXNQYZLDOG-UHFFFAOYSA-N
XLogP2.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3-[(2-hydroxycyclopentyl)methyl]urea
CID 71992836
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
CID 47032047
2-[4-(cyclopropylmethylcarbamoylamino)phenoxy]acetic acid
CID 55242463
methyl 3-[4-(cyclopropylmethylcarbamoylamino)phenoxy]propanoate
CID 49288381
1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea
CID 118764369
1-[(4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)urea
CID 106125333
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482
1-[4-(difluoromethoxy)phenyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 110919120
1-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(4-fluorophenyl)urea
CID 46486374
3-[[4-(difluoromethoxy)phenyl]carbamoylamino]-2-methoxypropanoic acid
CID 106109697

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea (CID 47196832) is 1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea is O=C(NCC1CC1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea?
The InChIKey is XHXKMXNQYZLDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-11(14)18-10-5-3-9(4-6-10)16-12(17)15-7-8-1-2-8/h3-6,8,11H,1-2,7H2,(H2,15,16,17).
What are the key properties of 1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea?
1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea has a molecular weight of 256.25 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[4-(difluoromethoxy)phenyl]urea is sourced from PubChem (CID 47196832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).