N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide

C24H20ClF2N3O3 — CID 88671840

IUPACN-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCC/C(=N/OCc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClF2N3O3/c1-2-21(16-8-10-17(25)11-9-16)30-33-14-15-6-12-18(13-7-15)28-24(32)29-23(31)22-19(26)4-3-5-20(22)27/h3-13H,2,14H2,1H3,(H2,28,29,31,32)/b30-21-
InChIKeyGAMXPGLFAAFUCF-OFWBYEQRSA-N
MW471.89 g/mol
LogP5.91
Rot. Bonds7

About N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide

N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 88671840) has the molecular formula C24H20ClF2N3O3 and a molecular weight of 471.89 g/mol. Its IUPAC name is N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID88671840
Molecular FormulaC24H20ClF2N3O3
Molecular Weight471.89 g/mol
Exact Mass471.12
IUPAC NameN-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCC/C(=N/OCc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H20ClF2N3O3/c1-2-21(16-8-10-17(25)11-9-16)30-33-14-15-6-12-18(13-7-15)28-24(32)29-23(31)22-19(26)4-3-5-20(22)27/h3-13H,2,14H2,1H3,(H2,28,29,31,32)/b30-21-
InChIKeyGAMXPGLFAAFUCF-OFWBYEQRSA-N
XLogP5.91
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.89
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[[(Z)-[1-(4-chlorophenyl)-2-methylpropylidene]amino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 88676124
N-[[4-[[1-(4-chlorophenyl)but-1-enylamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 57320590
N-[[4-[[[(4-chlorophenyl)-cyclopropylidenemethyl]amino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 56628540
N-[[4-[(2-chlorophenoxy)methyl]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 70577810
2-chloro-N-[[4-[[[(4-chlorophenyl)-cyclopropylmethylidene]amino]oxymethyl]phenyl]carbamoyl]benzamide
CID 54514892
2,6-difluoro-N-[[4-(1-phenylmethoxyethyl)phenyl]carbamoyl]benzamide
CID 70575675
(E)-1-(3-chlorophenyl)-N-[(4-chlorophenyl)methoxy]propan-1-imine
CID 89317369
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
2,6-difluoro-N-[(3-methyl-4-phenylmethoxyphenyl)carbamoyl]benzamide
CID 20524527
N-[(4-chlorophenyl)carbamoyl]-2,4,6-trifluorobenzamide
CID 53439408
2,6-difluoro-N-[[4-[(E)-pentoxyiminomethyl]phenyl]carbamoyl]benzamide
CID 25171523

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide (CID 88671840) is N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide is CC/C(=N/OCc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is GAMXPGLFAAFUCF-OFWBYEQRSA-N. The full InChI is InChI=1S/C24H20ClF2N3O3/c1-2-21(16-8-10-17(25)11-9-16)30-33-14-15-6-12-18(13-7-15)28-24(32)29-23(31)22-19(26)4-3-5-20(22)27/h3-13H,2,14H2,1H3,(H2,28,29,31,32)/b30-21-.
What are the key properties of N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 471.89 g/mol, XLogP of 5.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(Z)-1-(4-chlorophenyl)propylideneamino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 88671840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).