4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide

C21H24F2N2O4 — CID 43048234

IUPAC4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
SMILESCC(OCCCNC(=O)CNC(=O)c1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C21H24F2N2O4/c1-15(16-6-3-2-4-7-16)28-13-5-12-24-19(26)14-25-20(27)17-8-10-18(11-9-17)29-21(22)23/h2-4,6-11,15,21H,5,12-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyUFHPFZOBVRYWPM-UHFFFAOYSA-N
MW406.43 g/mol
LogP3.30
Rot. Bonds11

About 4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide

4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide (PubChem CID 43048234) has the molecular formula C21H24F2N2O4 and a molecular weight of 406.43 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
PubChem CID43048234
Molecular FormulaC21H24F2N2O4
Molecular Weight406.43 g/mol
Exact Mass406.17
IUPAC Name4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
SMILESCC(OCCCNC(=O)CNC(=O)c1ccc(OC(F)F)cc1)c1ccccc1
InChIInChI=1S/C21H24F2N2O4/c1-15(16-6-3-2-4-7-16)28-13-5-12-24-19(26)14-25-20(27)17-8-10-18(11-9-17)29-21(22)23/h2-4,6-11,15,21H,5,12-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyUFHPFZOBVRYWPM-UHFFFAOYSA-N
XLogP3.30
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
CID 119693834
2,4-difluoro-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
CID 46536800
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
N-[2-oxo-2-(4-phenylbutylamino)ethyl]-4-propan-2-yloxybenzamide
CID 17483571
N-[2-[3-(2-methylpropoxy)propylamino]-2-oxoethyl]-4-phenylbenzamide
CID 51218463
N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 18088700
N-[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-4-phenoxybenzamide
CID 9405216
4-(ethylsulfanylmethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55898740
N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 24552786
4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide
CID 27746715
3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide
CID 55536116

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide (CID 43048234) is 4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide is CC(OCCCNC(=O)CNC(=O)c1ccc(OC(F)F)cc1)c1ccccc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide?
The InChIKey is UFHPFZOBVRYWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O4/c1-15(16-6-3-2-4-7-16)28-13-5-12-24-19(26)14-25-20(27)17-8-10-18(11-9-17)29-21(22)23/h2-4,6-11,15,21H,5,12-14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide?
4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide has a molecular weight of 406.43 g/mol, XLogP of 3.30, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide is sourced from PubChem (CID 43048234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).