N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline

C21H16ClF3N2O — CID 110841957

IUPACN-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccccc3)c(Cl)c2)cc1
InChIInChI=1S/C21H16ClF3N2O/c22-19-12-16(6-11-20(19)28-14-15-4-2-1-3-5-15)13-26-27-18-9-7-17(8-10-18)21(23,24)25/h1-13,27H,14H2
InChIKeyHMNUKVDOWGPOQZ-UHFFFAOYSA-N
MW404.82 g/mol
LogP6.38
Rot. Bonds6

About N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline

N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline (PubChem CID 110841957) has the molecular formula C21H16ClF3N2O and a molecular weight of 404.82 g/mol. Its IUPAC name is N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
PubChem CID110841957
Molecular FormulaC21H16ClF3N2O
Molecular Weight404.82 g/mol
Exact Mass404.09
IUPAC NameN-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccccc3)c(Cl)c2)cc1
InChIInChI=1S/C21H16ClF3N2O/c22-19-12-16(6-11-20(19)28-14-15-4-2-1-3-5-15)13-26-27-18-9-7-17(8-10-18)21(23,24)25/h1-13,27H,14H2
InChIKeyHMNUKVDOWGPOQZ-UHFFFAOYSA-N
XLogP6.38
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.82
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505513
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110507323
N-[[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-(trifluoromethyl)aniline
CID 110841858
N-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]aniline
CID 169384243
2-[2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110840047
N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1342169
4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline
CID 110840797
N'-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-N-methyloxamide
CID 8901800
N-[(3-methoxy-5-nitro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841922
N-[(3,5-dichloro-4-propoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841966
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340184
2-chloro-6-methoxy-4-[(E)-[[4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 137065454

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline (CID 110841957) is N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NN=Cc2ccc(OCc3ccccc3)c(Cl)c2)cc1.
What is the InChIKey of N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline?
The InChIKey is HMNUKVDOWGPOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O/c22-19-12-16(6-11-20(19)28-14-15-4-2-1-3-5-15)13-26-27-18-9-7-17(8-10-18)21(23,24)25/h1-13,27H,14H2.
What are the key properties of N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline?
N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline has a molecular weight of 404.82 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 110841957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).