N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide

C20H24F2N2O3 — CID 55959876

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide
SMILESCC(NC(=O)c1ccccc1OCCN(C)C)c1cccc(OC(F)F)c1
InChIInChI=1S/C20H24F2N2O3/c1-14(15-7-6-8-16(13-15)27-20(21)22)23-19(25)17-9-4-5-10-18(17)26-12-11-24(2)3/h4-10,13-14,20H,11-12H2,1-3H3,(H,23,25)
InChIKeyDZRBWTCMROHMQP-UHFFFAOYSA-N
MW378.42 g/mol
LogP3.72
Rot. Bonds9

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide (PubChem CID 55959876) has the molecular formula C20H24F2N2O3 and a molecular weight of 378.42 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide
PubChem CID55959876
Molecular FormulaC20H24F2N2O3
Molecular Weight378.42 g/mol
Exact Mass378.18
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide
SMILESCC(NC(=O)c1ccccc1OCCN(C)C)c1cccc(OC(F)F)c1
InChIInChI=1S/C20H24F2N2O3/c1-14(15-7-6-8-16(13-15)27-20(21)22)23-19(25)17-9-4-5-10-18(17)26-12-11-24(2)3/h4-10,13-14,20H,11-12H2,1-3H3,(H,23,25)
InChIKeyDZRBWTCMROHMQP-UHFFFAOYSA-N
XLogP3.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 60566958
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide
CID 42961731
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[2-(dimethylamino)ethoxy]benzamide
CID 87040672
2-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 69175199
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylfuran-3-carboxamide
CID 42961734
2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
CID 51147641
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60513620
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 63048536
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 154871578
N-[3-(3-cyanopropoxy)phenyl]-2-[2-(dimethylamino)ethoxy]benzamide
CID 55959465
2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704
1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea
CID 110894255

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide (CID 55959876) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide is CC(NC(=O)c1ccccc1OCCN(C)C)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide?
The InChIKey is DZRBWTCMROHMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3/c1-14(15-7-6-8-16(13-15)27-20(21)22)23-19(25)17-9-4-5-10-18(17)26-12-11-24(2)3/h4-10,13-14,20H,11-12H2,1-3H3,(H,23,25).
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide has a molecular weight of 378.42 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(dimethylamino)ethoxy]benzamide is sourced from PubChem (CID 55959876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).