N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide

C18H16ClF3N2O2 — CID 5131148

IUPACN-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
SMILESCC(C)Oc1ccc(C=NNC(=O)c2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C18H16ClF3N2O2/c1-11(2)26-16-7-6-12(8-15(16)19)10-23-24-17(25)13-4-3-5-14(9-13)18(20,21)22/h3-11H,1-2H3,(H,24,25)
InChIKeyOLKOHGOUHBLGOR-UHFFFAOYSA-N
MW384.79 g/mol
LogP4.91
Rot. Bonds5

About N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide

N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide (PubChem CID 5131148) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
PubChem CID5131148
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC NameN-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
SMILESCC(C)Oc1ccc(C=NNC(=O)c2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C18H16ClF3N2O2/c1-11(2)26-16-7-6-12(8-15(16)19)10-23-24-17(25)13-4-3-5-14(9-13)18(20,21)22/h3-11H,1-2H3,(H,24,25)
InChIKeyOLKOHGOUHBLGOR-UHFFFAOYSA-N
XLogP4.91
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.91
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

3-amino-N-[(Z)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110512249
N-[[4-(2-methylpropoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 4520620
N-[(E)-(4-iodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 21211160
N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 3669848
N-[(3-chloro-2-hydroxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 142499205
3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5456482
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137080514
N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 4675268
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 4311594
4-chloro-N-[[3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 5134541
N-[(3-chloro-4-methoxyphenyl)methylideneamino]benzamide
CID 3850577
N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110507236

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide (CID 5131148) is N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide is CC(C)Oc1ccc(C=NNC(=O)c2cccc(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
The InChIKey is OLKOHGOUHBLGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c1-11(2)26-16-7-6-12(8-15(16)19)10-23-24-17(25)13-4-3-5-14(9-13)18(20,21)22/h3-11H,1-2H3,(H,24,25).
What are the key properties of N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide?
N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide has a molecular weight of 384.79 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 5131148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).