N-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide

C18H19ClFN3O2 — CID 24511891

IUPACN-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide
SMILESCC(O/N=C/c1ccc(N(C)C)cc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H19ClFN3O2/c1-12(18(24)22-14-6-9-17(20)16(19)10-14)25-21-11-13-4-7-15(8-5-13)23(2)3/h4-12H,1-3H3,(H,22,24)/b21-11+
InChIKeyYHXAXDFESFRLRJ-SRZZPIQSSA-N
MW363.82 g/mol
LogP3.92
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide

N-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide (PubChem CID 24511891) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide
PubChem CID24511891
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide
SMILESCC(O/N=C/c1ccc(N(C)C)cc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C18H19ClFN3O2/c1-12(18(24)22-14-6-9-17(20)16(19)10-14)25-21-11-13-4-7-15(8-5-13)23(2)3/h4-12H,1-3H3,(H,22,24)/b21-11+
InChIKeyYHXAXDFESFRLRJ-SRZZPIQSSA-N
XLogP3.92
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.92
H-Bond Donors ≤ 51
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-(3-chloro-4-fluorophenyl)-N'-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxamide
CID 19660151
(2S)-N-(3,4-difluorophenyl)-2-[(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 129420682
(2R)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,5-dichlorophenyl)propanamide
CID 7701109
(2R)-N-(4-chlorophenyl)-2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxypropanamide
CID 7670002
(2S)-N-(3-chlorophenyl)-2-[(Z)-(3-fluorophenyl)methylideneamino]oxypropanamide
CID 7704553
(2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(4-methylphenyl)methylideneamino]oxypropanamide
CID 7705437
2-[(E)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluoro-4-methylphenyl)propanamide
CID 24511868
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxypropanamide
CID 7702587
(2S)-N-(3-chloro-4-fluorophenyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578068
(2R)-N-(4-chlorophenyl)-2-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]oxypropanamide
CID 7700436
N-(3,4-dimethoxyphenyl)-2-[(E)-(3,4-dimethoxyphenyl)methylideneamino]oxypropanamide
CID 24511843
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(4-chlorophenyl)methylideneamino]oxypropanamide
CID 7701090

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide (CID 24511891) is N-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide is CC(O/N=C/c1ccc(N(C)C)cc1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide?
The InChIKey is YHXAXDFESFRLRJ-SRZZPIQSSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-12(18(24)22-14-6-9-17(20)16(19)10-14)25-21-11-13-4-7-15(8-5-13)23(2)3/h4-12H,1-3H3,(H,22,24)/b21-11+.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide?
N-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide has a molecular weight of 363.82 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]oxypropanamide is sourced from PubChem (CID 24511891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).