3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide

C14H18F2N2O2 — CID 110709915

IUPAC3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
SMILESCN1CCOC(CCNC(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H18F2N2O2/c1-18-6-7-20-11(9-18)4-5-17-14(19)10-2-3-12(15)13(16)8-10/h2-3,8,11H,4-7,9H2,1H3,(H,17,19)
InChIKeyPHXZCIDOSARWNQ-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.42
Rot. Bonds4

About 3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide

3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide (PubChem CID 110709915) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
PubChem CID110709915
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
SMILESCN1CCOC(CCNC(=O)c2ccc(F)c(F)c2)C1
InChIInChI=1S/C14H18F2N2O2/c1-18-6-7-20-11(9-18)4-5-17-14(19)10-2-3-12(15)13(16)8-10/h2-3,8,11H,4-7,9H2,1H3,(H,17,19)
InChIKeyPHXZCIDOSARWNQ-UHFFFAOYSA-N
XLogP1.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709908
N-[2-(4-methylmorpholin-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 110709882
4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79078520
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-sulfanylbenzamide
CID 107031927
N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110741493
N-[2-(1,3-dioxolan-2-yl)ethyl]-3,4-difluorobenzamide
CID 110369952
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
N-[2-(4-methylmorpholin-2-yl)ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56701471
N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 95197355
3,4-difluoro-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 51866429
5-chloro-2-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094449
1,3,7-trimethyl-N-[2-(4-methylmorpholin-2-yl)ethyl]indole-2-carboxamide
CID 56717402

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide (CID 110709915) is 3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide is CN1CCOC(CCNC(=O)c2ccc(F)c(F)c2)C1.
What is the InChIKey of 3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide?
The InChIKey is PHXZCIDOSARWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-18-6-7-20-11(9-18)4-5-17-14(19)10-2-3-12(15)13(16)8-10/h2-3,8,11H,4-7,9H2,1H3,(H,17,19).
What are the key properties of 3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide?
3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide has a molecular weight of 284.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide is sourced from PubChem (CID 110709915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).