3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide

C17H22F2N2O3 — CID 111660763

IUPAC3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)c(F)c1)NCC1(O)CCCCCC1
InChIInChI=1S/C17H22F2N2O3/c18-13-6-5-12(9-14(13)19)16(23)20-10-15(22)21-11-17(24)7-3-1-2-4-8-17/h5-6,9,24H,1-4,7-8,10-11H2,(H,20,23)(H,21,22)
InChIKeyZVEWRODFKRUWHS-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.90
Rot. Bonds5

About 3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide

3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 111660763) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide
PubChem CID111660763
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC Name3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)c(F)c1)NCC1(O)CCCCCC1
InChIInChI=1S/C17H22F2N2O3/c18-13-6-5-12(9-14(13)19)16(23)20-10-15(22)21-11-17(24)7-3-1-2-4-8-17/h5-6,9,24H,1-4,7-8,10-11H2,(H,20,23)(H,21,22)
InChIKeyZVEWRODFKRUWHS-UHFFFAOYSA-N
XLogP1.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64865903
N-[2-[(1-hydroxycyclopentyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 65113599
3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119123
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide
CID 111539734
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]-3-methylbenzamide
CID 111696598
4-fluoro-N-[(1-hydroxycycloheptyl)methyl]-3-(methoxymethyl)benzamide
CID 111435956
3,4-difluoro-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]benzamide
CID 97042590
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
3,4-difluoro-N-[[1-(methylaminomethyl)cyclobutyl]methyl]benzamide
CID 115267549
3,5-difluoro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 59356128
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
4-fluoro-N-[(1-hydroxycyclobutyl)methyl]-3-(methoxymethyl)benzamide
CID 111539575

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide (CID 111660763) is 3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(F)c(F)c1)NCC1(O)CCCCCC1.
What is the InChIKey of 3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is ZVEWRODFKRUWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c18-13-6-5-12(9-14(13)19)16(23)20-10-15(22)21-11-17(24)7-3-1-2-4-8-17/h5-6,9,24H,1-4,7-8,10-11H2,(H,20,23)(H,21,22).
What are the key properties of 3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide?
3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 340.37 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-[(1-hydroxycycloheptyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 111660763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).