(7E)-4-(2-fluorophenyl)-7-[(2-fluorophenyl)methylidene]-3,4,5,6-tetrahydro-1H-cyclopenta[d]pyrimidin-2-one

C20H16F2N2O — CID 11290694

IUPAC(7E)-4-(2-fluorophenyl)-7-[(2-fluorophenyl)methylidene]-3,4,5,6-tetrahydro-1H-cyclopenta[d]pyrimidin-2-one
SMILESO=C1NC2=C(CC/C2=C\c2ccccc2F)C(c2ccccc2F)N1
InChIInChI=1S/C20H16F2N2O/c21-16-7-3-1-5-12(16)11-13-9-10-15-18(13)23-20(25)24-19(15)14-6-2-4-8-17(14)22/h1-8,11,19H,9-10H2,(H2,23,24,25)/b13-11+
InChIKeySXDAVWKVKABSBP-ACCUITESSA-N
MW338.36 g/mol
LogP4.45
Rot. Bonds2

About (7E)-4-(2-fluorophenyl)-7-[(2-fluorophenyl)methylidene]-3,4,5,6-tetrahydro-1H-cyclopenta[d]pyrimidin-2-one

(7E)-4-(2-fluorophenyl)-7-[(2-fluorophenyl)methylidene]-3,4,5,6-tetrahydro-1H-cyclopenta[d]pyrimidin-2-one (PubChem CID 11290694) has the molecular formula C20H16F2N2O and a molecular weight of 338.36 g/mol. Its IUPAC name is (7E)-4-(2-fluorophenyl)-7-[(2-fluorophenyl)methylidene]-3,4,5,6-tetrahydro-1H-cyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name(7E)-4-(2-fluorophenyl)-7-[(2-fluorophenyl)methylidene]-3,4,5,6-tetrahydro-1H-cyclopenta[d]pyrimidin-2-one
PubChem CID11290694
Molecular FormulaC20H16F2N2O
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name(7E)-4-(2-fluorophenyl)-7-[(2-fluorophenyl)methylidene]-3,4,5,6-tetrahydro-1H-cyclopenta[d]pyrimidin-2-one
SMILESO=C1NC2=C(CC/C2=C\c2ccccc2F)C(c2ccccc2F)N1
InChIInChI=1S/C20H16F2N2O/c21-16-7-3-1-5-12(16)11-13-9-10-15-18(13)23-20(25)24-19(15)14-6-2-4-8-17(14)22/h1-8,11,19H,9-10H2,(H2,23,24,25)/b13-11+
InChIKeySXDAVWKVKABSBP-ACCUITESSA-N
XLogP4.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4R,6R,8E)-4-(2-fluorophenyl)-8-[(2-fluorophenyl)methylidene]-6-methyl-1,3,4,5,6,7-hexahydroquinazoline-2-thione
CID 7255933
(5E,9S)-9-(2-fluorophenyl)-5-[(2-fluorophenyl)methylidene]-6,7,8,9-tetrahydro-4H-tetrazolo[5,1-b]quinazoline
CID 2257302
(4R,8Z)-8-benzylidene-4-phenyl-1,3,4,5,6,7-hexahydroquinazolin-2-one
CID 2049954
(2Z)-2-[(2-fluorophenyl)methylidene]cyclohexan-1-one
CID 68643063
(4R)-5-acetyl-4-(2-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 781417
(4S)-5-acetyl-4-(2-fluorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 781415
(5E)-2-[(3,5-dimethoxyphenyl)methylidene]-5-[(2-fluorophenyl)methylidene]cyclopentan-1-one
CID 154186564
4-(2-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2912658
(2E,4aR,5R,8aR)-2-[(2-fluorophenyl)methylidene]-6-hydroxy-8a-methyl-5-prop-2-enyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-one
CID 153485565
(3E)-3-[(2-fluorophenyl)methylidene]oxolane-2,5-dione
CID 82158362
(4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136893560
(4R)-4-(2-methoxyphenyl)-8-[(2-methoxyphenyl)methylidene]-1,3,4,5,6,7-hexahydroquinazoline-2-thione
CID 6979932

Frequently Asked Questions

What is the IUPAC name of (7E)-4-(2-fluorophenyl)-7-[(2-fluorophenyl)methylidene]-3,4,5,6-tetrahydro-1H-cyclopenta[d]pyrimidin-2-one?
The IUPAC name of (7E)-4-(2-fluorophenyl)-7-[(2-fluorophenyl)methylidene]-3,4,5,6-tetrahydro-1H-cyclopenta[d]pyrimidin-2-one (CID 11290694) is (7E)-4-(2-fluorophenyl)-7-[(2-fluorophenyl)methylidene]-3,4,5,6-tetrahydro-1H-cyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for (7E)-4-(2-fluorophenyl)-7-[(2-fluorophenyl)methylidene]-3,4,5,6-tetrahydro-1H-cyclopenta[d]pyrimidin-2-one?
The canonical SMILES for (7E)-4-(2-fluorophenyl)-7-[(2-fluorophenyl)methylidene]-3,4,5,6-tetrahydro-1H-cyclopenta[d]pyrimidin-2-one is O=C1NC2=C(CC/C2=C\c2ccccc2F)C(c2ccccc2F)N1.
What is the InChIKey of (7E)-4-(2-fluorophenyl)-7-[(2-fluorophenyl)methylidene]-3,4,5,6-tetrahydro-1H-cyclopenta[d]pyrimidin-2-one?
The InChIKey is SXDAVWKVKABSBP-ACCUITESSA-N. The full InChI is InChI=1S/C20H16F2N2O/c21-16-7-3-1-5-12(16)11-13-9-10-15-18(13)23-20(25)24-19(15)14-6-2-4-8-17(14)22/h1-8,11,19H,9-10H2,(H2,23,24,25)/b13-11+.
What are the key properties of (7E)-4-(2-fluorophenyl)-7-[(2-fluorophenyl)methylidene]-3,4,5,6-tetrahydro-1H-cyclopenta[d]pyrimidin-2-one?
(7E)-4-(2-fluorophenyl)-7-[(2-fluorophenyl)methylidene]-3,4,5,6-tetrahydro-1H-cyclopenta[d]pyrimidin-2-one has a molecular weight of 338.36 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-4-(2-fluorophenyl)-7-[(2-fluorophenyl)methylidene]-3,4,5,6-tetrahydro-1H-cyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 11290694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).