4,4-bis(3-fluorophenyl)-2-oxobutanamide

C16H13F2NO2 — CID 59093514

IUPAC4,4-bis(3-fluorophenyl)-2-oxobutanamide
SMILESNC(=O)C(=O)CC(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C16H13F2NO2/c17-12-5-1-3-10(7-12)14(9-15(20)16(19)21)11-4-2-6-13(18)8-11/h1-8,14H,9H2,(H2,19,21)
InChIKeyMFXGTRXRVSRDIO-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.54
Rot. Bonds5

About 4,4-bis(3-fluorophenyl)-2-oxobutanamide

4,4-bis(3-fluorophenyl)-2-oxobutanamide (PubChem CID 59093514) has the molecular formula C16H13F2NO2 and a molecular weight of 289.28 g/mol. Its IUPAC name is 4,4-bis(3-fluorophenyl)-2-oxobutanamide.

Molecular Properties

Compound Name4,4-bis(3-fluorophenyl)-2-oxobutanamide
PubChem CID59093514
Molecular FormulaC16H13F2NO2
Molecular Weight289.28 g/mol
Exact Mass289.09
IUPAC Name4,4-bis(3-fluorophenyl)-2-oxobutanamide
SMILESNC(=O)C(=O)CC(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C16H13F2NO2/c17-12-5-1-3-10(7-12)14(9-15(20)16(19)21)11-4-2-6-13(18)8-11/h1-8,14H,9H2,(H2,19,21)
InChIKeyMFXGTRXRVSRDIO-UHFFFAOYSA-N
XLogP2.54
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(4R)-N-tert-butyl-4-(3-fluorophenyl)-2-oxo-4-phenylbutanamide
CID 134950679
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
2-chloro-2-(3-fluorophenyl)acetamide
CID 62225850
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
2-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide
CID 176657549
2-(ethylamino)-2-(3-fluorophenyl)acetamide
CID 60786563
[(3-fluorophenyl)-phenylmethyl]urea
CID 15151796
CID 87816852
CID 87816852
1-amino-1-(3-fluorophenyl)propan-2-one
CID 55295099
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
2-[1-(3-fluorophenyl)ethylamino]propanamide
CID 43400981
2-(butan-2-ylamino)-2-(3-fluorophenyl)acetamide
CID 61023640

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(3-fluorophenyl)-2-oxobutanamide?
The IUPAC name of 4,4-bis(3-fluorophenyl)-2-oxobutanamide (CID 59093514) is 4,4-bis(3-fluorophenyl)-2-oxobutanamide.
What is the SMILES notation for 4,4-bis(3-fluorophenyl)-2-oxobutanamide?
The canonical SMILES for 4,4-bis(3-fluorophenyl)-2-oxobutanamide is NC(=O)C(=O)CC(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 4,4-bis(3-fluorophenyl)-2-oxobutanamide?
The InChIKey is MFXGTRXRVSRDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2/c17-12-5-1-3-10(7-12)14(9-15(20)16(19)21)11-4-2-6-13(18)8-11/h1-8,14H,9H2,(H2,19,21).
What are the key properties of 4,4-bis(3-fluorophenyl)-2-oxobutanamide?
4,4-bis(3-fluorophenyl)-2-oxobutanamide has a molecular weight of 289.28 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(3-fluorophenyl)-2-oxobutanamide is sourced from PubChem (CID 59093514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).