3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide

C14H18F2N2O2 — CID 63707599

IUPAC3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
SMILESCNc1c(F)cc(C(=O)NCC2CCOCC2)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-17-13-11(15)6-10(7-12(13)16)14(19)18-8-9-2-4-20-5-3-9/h6-7,9,17H,2-5,8H2,1H3,(H,18,19)
InChIKeyGXPJXMOSFFHSDC-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.16
Rot. Bonds4

About 3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide

3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide (PubChem CID 63707599) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
PubChem CID63707599
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
SMILESCNc1c(F)cc(C(=O)NCC2CCOCC2)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-17-13-11(15)6-10(7-12(13)16)14(19)18-8-9-2-4-20-5-3-9/h6-7,9,17H,2-5,8H2,1H3,(H,18,19)
InChIKeyGXPJXMOSFFHSDC-UHFFFAOYSA-N
XLogP2.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-trifluoro-N-(oxan-4-ylmethyl)benzamide
CID 63235633
3,5-difluoro-4-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 55160007
3,5-difluoro-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185334
3,5-difluoro-N-methyl-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
CID 63707118
N-[(4-ethylcyclohexyl)methyl]-3,4,5-trifluorobenzamide
CID 63482414
3,4,5-trifluoro-N-(oxan-3-ylmethyl)benzamide
CID 55159260
3,5-difluoro-4-(methylamino)-N-(thian-2-ylmethyl)benzamide
CID 80612937
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
N-(3-cyclopentylpropyl)-3,5-difluoro-4-(methylamino)benzamide
CID 106015415
3-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(oxan-4-ylmethyl)benzamide
CID 63707253
N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide
CID 63184835

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide (CID 63707599) is 3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide is CNc1c(F)cc(C(=O)NCC2CCOCC2)cc1F.
What is the InChIKey of 3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is GXPJXMOSFFHSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-17-13-11(15)6-10(7-12(13)16)14(19)18-8-9-2-4-20-5-3-9/h6-7,9,17H,2-5,8H2,1H3,(H,18,19).
What are the key properties of 3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide?
3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 284.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 63707599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).