1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea

C20H19F2N3O3 — CID 164635051

IUPAC1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea
SMILESCOc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@]2(C)CC2(F)F)cc1
InChIInChI=1S/C20H19F2N3O3/c1-19(11-20(19,21)22)12-24-18(26)25-14-4-6-15(7-5-14)28-16-8-3-13(10-23)9-17(16)27-2/h3-9H,11-12H2,1-2H3,(H2,24,25,26)/t19-/m1/s1
InChIKeyZNSDTZTYYCHHLC-LJQANCHMSA-N
MW387.39 g/mol
LogP4.53
Rot. Bonds6

About 1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea

1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea (PubChem CID 164635051) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is 1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea
PubChem CID164635051
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea
SMILESCOc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@]2(C)CC2(F)F)cc1
InChIInChI=1S/C20H19F2N3O3/c1-19(11-20(19,21)22)12-24-18(26)25-14-4-6-15(7-5-14)28-16-8-3-13(10-23)9-17(16)27-2/h3-9H,11-12H2,1-2H3,(H2,24,25,26)/t19-/m1/s1
InChIKeyZNSDTZTYYCHHLC-LJQANCHMSA-N
XLogP4.53
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea with MolForge

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Related Compounds

N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 52850188
(3R)-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]oxolane-3-carboxamide
CID 95156729
methyl 5-[[4-(4-cyano-2-methoxyphenoxy)phenyl]carbamoyl]-1-methylpyrrole-2-carboxylate
CID 166185327
1-[4-(4-cyanophenoxy)phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 60591596
1-(4-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214748
N-[4-(4-cyano-2-methoxyphenoxy)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 47093140
2-amino-5-(4-cyano-2-methoxyphenoxy)benzamide
CID 61313483
(2S)-2-(4-cyano-2-methoxyphenoxy)-N-(4-ethoxyphenyl)propanamide
CID 8978421
4-[4-(1-hydroxyethyl)phenoxy]-3-methoxybenzonitrile
CID 43506373
4-(4-cyano-2-methoxyphenoxy)-2-methylbenzoic acid
CID 62134443
1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214747
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[4-(4-cyano-2-methoxyphenoxy)phenyl]propanamide
CID 47093142

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea?
The IUPAC name of 1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea (CID 164635051) is 1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea.
What is the SMILES notation for 1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea?
The canonical SMILES for 1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea is COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@]2(C)CC2(F)F)cc1.
What is the InChIKey of 1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea?
The InChIKey is ZNSDTZTYYCHHLC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c1-19(11-20(19,21)22)12-24-18(26)25-14-4-6-15(7-5-14)28-16-8-3-13(10-23)9-17(16)27-2/h3-9H,11-12H2,1-2H3,(H2,24,25,26)/t19-/m1/s1.
What are the key properties of 1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea?
1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea has a molecular weight of 387.39 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyano-2-methoxyphenoxy)phenyl]-3-[[(1R)-2,2-difluoro-1-methylcyclopropyl]methyl]urea is sourced from PubChem (CID 164635051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).