3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide

C19H20F2N2O2 — CID 2168496

IUPAC3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1cccc(F)c1)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C19H20F2N2O2/c1-19(2,11-22-17(24)13-5-3-7-15(20)9-13)12-23-18(25)14-6-4-8-16(21)10-14/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHAOCVJUYZURSCM-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.15
Rot. Bonds6

About 3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide

3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide (PubChem CID 2168496) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
PubChem CID2168496
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1cccc(F)c1)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C19H20F2N2O2/c1-19(2,11-22-17(24)13-5-3-7-15(20)9-13)12-23-18(25)14-6-4-8-16(21)10-14/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyHAOCVJUYZURSCM-UHFFFAOYSA-N
XLogP3.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998
3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500919
N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
CID 64991573
N-(2-chloro-4,4-dimethylpentyl)-3-fluorobenzamide
CID 107156883
N-(3-chloro-2,2-dimethylpropyl)-3-hydroxybenzamide
CID 115364515
3-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110465856
3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031989
3-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82725712
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3-fluorobenzamide
CID 90497678

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide?
The IUPAC name of 3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide (CID 2168496) is 3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide?
The canonical SMILES for 3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide is CC(C)(CNC(=O)c1cccc(F)c1)CNC(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide?
The InChIKey is HAOCVJUYZURSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c1-19(2,11-22-17(24)13-5-3-7-15(20)9-13)12-23-18(25)14-6-4-8-16(21)10-14/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide?
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide has a molecular weight of 346.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide is sourced from PubChem (CID 2168496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).