N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide

C20H20F2N2O3 — CID 113094199

IUPACN-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide
SMILESCC(=O)N(c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1)C1CCOCC1
InChIInChI=1S/C20H20F2N2O3/c1-13(25)24(17-8-10-27-11-9-17)16-5-3-15(4-6-16)23-20(26)14-2-7-18(21)19(22)12-14/h2-7,12,17H,8-11H2,1H3,(H,23,26)
InChIKeyATRDCORFYCWICN-UHFFFAOYSA-N
MW374.39 g/mol
LogP3.75
Rot. Bonds4

About N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide

N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide (PubChem CID 113094199) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide
PubChem CID113094199
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC NameN-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide
SMILESCC(=O)N(c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1)C1CCOCC1
InChIInChI=1S/C20H20F2N2O3/c1-13(25)24(17-8-10-27-11-9-17)16-5-3-15(4-6-16)23-20(26)14-2-7-18(21)19(22)12-14/h2-7,12,17H,8-11H2,1H3,(H,23,26)
InChIKeyATRDCORFYCWICN-UHFFFAOYSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-chlorobenzamide
CID 113094193
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methylbenzamide
CID 113094170
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-4-methoxybenzamide
CID 113094176
N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide
CID 113094075
N-(oxan-4-yl)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 113094206
N-[4-(cyclopropylcarbamoylamino)phenyl]-N-(oxan-4-yl)acetamide
CID 113094214
N-[4-[acetyl(oxan-4-yl)amino]phenyl]butanamide
CID 113094156
N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide
CID 113094048
N-[4-[oxan-4-yl(phenylcarbamoyl)amino]phenyl]acetamide
CID 113095234
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618
N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxan-4-yl)benzamide
CID 90607041
3-(3,4-difluorophenyl)-1-ethyl-1-(oxan-4-yl)urea
CID 118783245

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide?
The IUPAC name of N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide (CID 113094199) is N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide is CC(=O)N(c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1)C1CCOCC1.
What is the InChIKey of N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide?
The InChIKey is ATRDCORFYCWICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c1-13(25)24(17-8-10-27-11-9-17)16-5-3-15(4-6-16)23-20(26)14-2-7-18(21)19(22)12-14/h2-7,12,17H,8-11H2,1H3,(H,23,26).
What are the key properties of N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide?
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide has a molecular weight of 374.39 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide is sourced from PubChem (CID 113094199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).