4-fluoro-2-(1-oxopropan-2-yl)benzamide

C10H10FNO2 — CID 87235072

IUPAC4-fluoro-2-(1-oxopropan-2-yl)benzamide
SMILESCC(C=O)c1cc(F)ccc1C(N)=O
InChIInChI=1S/C10H10FNO2/c1-6(5-13)9-4-7(11)2-3-8(9)10(12)14/h2-6H,1H3,(H2,12,14)
InChIKeyJNTZDVZZMFVYSL-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.23
Rot. Bonds3

About 4-fluoro-2-(1-oxopropan-2-yl)benzamide

4-fluoro-2-(1-oxopropan-2-yl)benzamide (PubChem CID 87235072) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 4-fluoro-2-(1-oxopropan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-(1-oxopropan-2-yl)benzamide
PubChem CID87235072
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name4-fluoro-2-(1-oxopropan-2-yl)benzamide
SMILESCC(C=O)c1cc(F)ccc1C(N)=O
InChIInChI=1S/C10H10FNO2/c1-6(5-13)9-4-7(11)2-3-8(9)10(12)14/h2-6H,1H3,(H2,12,14)
InChIKeyJNTZDVZZMFVYSL-UHFFFAOYSA-N
XLogP1.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(1-oxopropan-2-yl)benzaldehyde
CID 134639432
2,4-difluorobenzamide;dihydrochloride
CID 22032026
4-fluoro-2-propan-2-ylbenzoic acid
CID 22101476
2-ethenyl-4-fluorobenzamide
CID 122232501
3-(2-carbamoyl-5-fluorophenyl)prop-2-enoic acid
CID 169460732
2-(2,5-difluorophenyl)propanamide
CID 141213802
2-(aminomethyl)-4-fluorobenzamide
CID 174538436
(1Z)-1-(4-fluoro-2-propan-2-ylphenyl)-3-methylbuta-1,3-dien-1-amine
CID 166833945
5-[1-(2,5-difluorophenyl)ethylamino]-2-methylbenzamide
CID 56788859
4-fluoro-2-(3-hydroxyprop-1-enyl)benzamide
CID 169453706
2-(aminomethyl)-5-fluorobenzamide;hydrochloride
CID 173145989
[(2R)-1-amino-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 2570251

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1-oxopropan-2-yl)benzamide?
The IUPAC name of 4-fluoro-2-(1-oxopropan-2-yl)benzamide (CID 87235072) is 4-fluoro-2-(1-oxopropan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-(1-oxopropan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-2-(1-oxopropan-2-yl)benzamide is CC(C=O)c1cc(F)ccc1C(N)=O.
What is the InChIKey of 4-fluoro-2-(1-oxopropan-2-yl)benzamide?
The InChIKey is JNTZDVZZMFVYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-6(5-13)9-4-7(11)2-3-8(9)10(12)14/h2-6H,1H3,(H2,12,14).
What are the key properties of 4-fluoro-2-(1-oxopropan-2-yl)benzamide?
4-fluoro-2-(1-oxopropan-2-yl)benzamide has a molecular weight of 195.19 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1-oxopropan-2-yl)benzamide is sourced from PubChem (CID 87235072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).