1-N'-[2-fluoro-5-(trifluoromethyl)phenyl]-1-N'-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide

C18H14F4N2O3 — CID 174915783

IUPAC1-N'-[2-fluoro-5-(trifluoromethyl)phenyl]-1-N'-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N(c2ccc(O)cc2)c2cc(C(F)(F)F)ccc2F)CC1
InChIInChI=1S/C18H14F4N2O3/c19-13-6-1-10(18(20,21)22)9-14(13)24(11-2-4-12(25)5-3-11)16(27)17(7-8-17)15(23)26/h1-6,9,25H,7-8H2,(H2,23,26)
InChIKeyBZTHSNJMFANAIW-UHFFFAOYSA-N
MW382.31 g/mol
LogP3.48
Rot. Bonds4

About 1-N'-[2-fluoro-5-(trifluoromethyl)phenyl]-1-N'-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide

1-N'-[2-fluoro-5-(trifluoromethyl)phenyl]-1-N'-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 174915783) has the molecular formula C18H14F4N2O3 and a molecular weight of 382.31 g/mol. Its IUPAC name is 1-N'-[2-fluoro-5-(trifluoromethyl)phenyl]-1-N'-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[2-fluoro-5-(trifluoromethyl)phenyl]-1-N'-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID174915783
Molecular FormulaC18H14F4N2O3
Molecular Weight382.31 g/mol
Exact Mass382.09
IUPAC Name1-N'-[2-fluoro-5-(trifluoromethyl)phenyl]-1-N'-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N(c2ccc(O)cc2)c2cc(C(F)(F)F)ccc2F)CC1
InChIInChI=1S/C18H14F4N2O3/c19-13-6-1-10(18(20,21)22)9-14(13)24(11-2-4-12(25)5-3-11)16(27)17(7-8-17)15(23)26/h1-6,9,25H,7-8H2,(H2,23,26)
InChIKeyBZTHSNJMFANAIW-UHFFFAOYSA-N
XLogP3.48
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(4,6-diaminopyrimidin-5-yl)ethynyl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 174501306
1-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[4-(6-methylsulfonyl-2H-furo[2,3-d]pyrimidin-3-yl)phenyl]urea
CID 69207082
1-N'-[5-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-4-cyclopropyl-1,3-thiazol-2-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 156828649
1-N'-[2-fluoro-5-[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 67412025
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
CID 68534257
2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine
CID 22120088
1-[2-fluoro-5-(trifluoromethyl)phenyl]-1-[4-[6-[(2,4,6-trimethoxyphenyl)methylamino]-2H-furo[2,3-d]pyrimidin-3-yl]phenyl]urea
CID 69209259
1-[4-[6-[2-(dimethylamino)ethylamino]-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 91598036
4-(trifluoromethyl)(18F)phenol
CID 71660610
1-[4-[4-(dimethylamino)-4H-furo[2,3-d]pyrimidin-3-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 69205460
1-[4-[4-amino-6-(hydroxymethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 69403286
N-(diaminomethylidene)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride
CID 23212872

Frequently Asked Questions

What is the IUPAC name of 1-N'-[2-fluoro-5-(trifluoromethyl)phenyl]-1-N'-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[2-fluoro-5-(trifluoromethyl)phenyl]-1-N'-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide (CID 174915783) is 1-N'-[2-fluoro-5-(trifluoromethyl)phenyl]-1-N'-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[2-fluoro-5-(trifluoromethyl)phenyl]-1-N'-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[2-fluoro-5-(trifluoromethyl)phenyl]-1-N'-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide is NC(=O)C1(C(=O)N(c2ccc(O)cc2)c2cc(C(F)(F)F)ccc2F)CC1.
What is the InChIKey of 1-N'-[2-fluoro-5-(trifluoromethyl)phenyl]-1-N'-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is BZTHSNJMFANAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O3/c19-13-6-1-10(18(20,21)22)9-14(13)24(11-2-4-12(25)5-3-11)16(27)17(7-8-17)15(23)26/h1-6,9,25H,7-8H2,(H2,23,26).
What are the key properties of 1-N'-[2-fluoro-5-(trifluoromethyl)phenyl]-1-N'-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide?
1-N'-[2-fluoro-5-(trifluoromethyl)phenyl]-1-N'-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 382.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-fluoro-5-(trifluoromethyl)phenyl]-1-N'-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 174915783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).