2,6-difluoro-N-[[4-[(E)-pentoxyiminomethyl]phenyl]carbamoyl]benzamide

C20H21F2N3O3 — CID 25171523

IUPAC2,6-difluoro-N-[[4-[(E)-pentoxyiminomethyl]phenyl]carbamoyl]benzamide
SMILESCCCCCO/N=C/c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C20H21F2N3O3/c1-2-3-4-12-28-23-13-14-8-10-15(11-9-14)24-20(27)25-19(26)18-16(21)6-5-7-17(18)22/h5-11,13H,2-4,12H2,1H3,(H2,24,25,26,27)/b23-13+
InChIKeyGDJKYBMDCXIFHA-YDZHTSKRSA-N
MW389.40 g/mol
LogP4.47
Rot. Bonds8

About 2,6-difluoro-N-[[4-[(E)-pentoxyiminomethyl]phenyl]carbamoyl]benzamide

2,6-difluoro-N-[[4-[(E)-pentoxyiminomethyl]phenyl]carbamoyl]benzamide (PubChem CID 25171523) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is 2,6-difluoro-N-[[4-[(E)-pentoxyiminomethyl]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[[4-[(E)-pentoxyiminomethyl]phenyl]carbamoyl]benzamide
PubChem CID25171523
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC Name2,6-difluoro-N-[[4-[(E)-pentoxyiminomethyl]phenyl]carbamoyl]benzamide
SMILESCCCCCO/N=C/c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C20H21F2N3O3/c1-2-3-4-12-28-23-13-14-8-10-15(11-9-14)24-20(27)25-19(26)18-16(21)6-5-7-17(18)22/h5-11,13H,2-4,12H2,1H3,(H2,24,25,26,27)/b23-13+
InChIKeyGDJKYBMDCXIFHA-YDZHTSKRSA-N
XLogP4.47
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(E)-cyclopropylmethoxyiminomethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 25171731
N-(4-dodecoxyphenyl)-2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetamide
CID 142272575
N-[[4-(difluoromethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
CID 134110234
(E)-N-heptoxy-1-phenylmethanimine
CID 11241455
(E)-N-octoxy-1-phenylmethanimine
CID 25012804
N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 88671840
[(E)-(4-fluorophenyl)methylideneamino] N-(4-undecoxyphenyl)carbamate
CID 20872766
(1E)-1-[(2,6-difluorophenyl)methylidene]-3-(4-nonoxyphenyl)urea
CID 142272576
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316
2,6-difluoro-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]carbamoyl]benzamide
CID 134122808
N-[[4-[[(Z)-[1-(4-chlorophenyl)-2-methylpropylidene]amino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 88676124
2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide
CID 70575675

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[[4-[(E)-pentoxyiminomethyl]phenyl]carbamoyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[[4-[(E)-pentoxyiminomethyl]phenyl]carbamoyl]benzamide (CID 25171523) is 2,6-difluoro-N-[[4-[(E)-pentoxyiminomethyl]phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[[4-[(E)-pentoxyiminomethyl]phenyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[[4-[(E)-pentoxyiminomethyl]phenyl]carbamoyl]benzamide is CCCCCO/N=C/c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[[4-[(E)-pentoxyiminomethyl]phenyl]carbamoyl]benzamide?
The InChIKey is GDJKYBMDCXIFHA-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c1-2-3-4-12-28-23-13-14-8-10-15(11-9-14)24-20(27)25-19(26)18-16(21)6-5-7-17(18)22/h5-11,13H,2-4,12H2,1H3,(H2,24,25,26,27)/b23-13+.
What are the key properties of 2,6-difluoro-N-[[4-[(E)-pentoxyiminomethyl]phenyl]carbamoyl]benzamide?
2,6-difluoro-N-[[4-[(E)-pentoxyiminomethyl]phenyl]carbamoyl]benzamide has a molecular weight of 389.40 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[[4-[(E)-pentoxyiminomethyl]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 25171523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).