N-[3-chloro-4-(trifluoromethyl)phenyl]-N-phenylformamide

C14H9ClF3NO — CID 88654628

IUPACN-[3-chloro-4-(trifluoromethyl)phenyl]-N-phenylformamide
SMILESO=CN(c1ccccc1)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H9ClF3NO/c15-13-8-11(6-7-12(13)14(16,17)18)19(9-20)10-4-2-1-3-5-10/h1-9H
InChIKeyZEXQGRIKVAGACY-UHFFFAOYSA-N
MW299.68 g/mol
LogP4.65
Rot. Bonds3

About N-[3-chloro-4-(trifluoromethyl)phenyl]-N-phenylformamide

N-[3-chloro-4-(trifluoromethyl)phenyl]-N-phenylformamide (PubChem CID 88654628) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is N-[3-chloro-4-(trifluoromethyl)phenyl]-N-phenylformamide.

Molecular Properties

Compound NameN-[3-chloro-4-(trifluoromethyl)phenyl]-N-phenylformamide
PubChem CID88654628
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC NameN-[3-chloro-4-(trifluoromethyl)phenyl]-N-phenylformamide
SMILESO=CN(c1ccccc1)c1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H9ClF3NO/c15-13-8-11(6-7-12(13)14(16,17)18)19(9-20)10-4-2-1-3-5-10/h1-9H
InChIKeyZEXQGRIKVAGACY-UHFFFAOYSA-N
XLogP4.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(trifluoromethyl)phenyl]-N-phenylformamide?
The IUPAC name of N-[3-chloro-4-(trifluoromethyl)phenyl]-N-phenylformamide (CID 88654628) is N-[3-chloro-4-(trifluoromethyl)phenyl]-N-phenylformamide.
What is the SMILES notation for N-[3-chloro-4-(trifluoromethyl)phenyl]-N-phenylformamide?
The canonical SMILES for N-[3-chloro-4-(trifluoromethyl)phenyl]-N-phenylformamide is O=CN(c1ccccc1)c1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(trifluoromethyl)phenyl]-N-phenylformamide?
The InChIKey is ZEXQGRIKVAGACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO/c15-13-8-11(6-7-12(13)14(16,17)18)19(9-20)10-4-2-1-3-5-10/h1-9H.
What are the key properties of N-[3-chloro-4-(trifluoromethyl)phenyl]-N-phenylformamide?
N-[3-chloro-4-(trifluoromethyl)phenyl]-N-phenylformamide has a molecular weight of 299.68 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(trifluoromethyl)phenyl]-N-phenylformamide is sourced from PubChem (CID 88654628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).