N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide

C14H9ClF3NO2 — CID 130293163

IUPACN-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide
SMILESO=CNc1ccc(-c2ccccc2OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H9ClF3NO2/c15-12-7-9(19-8-20)5-6-10(12)11-3-1-2-4-13(11)21-14(16,17)18/h1-8H,(H,19,20)
InChIKeyYPHDFRMONFUIQT-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.47
Rot. Bonds4

About N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide

N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide (PubChem CID 130293163) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide
PubChem CID130293163
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC NameN-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide
SMILESO=CNc1ccc(-c2ccccc2OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H9ClF3NO2/c15-12-7-9(19-8-20)5-6-10(12)11-3-1-2-4-13(11)21-14(16,17)18/h1-8H,(H,19,20)
InChIKeyYPHDFRMONFUIQT-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
N-[5-[3-chloro-4-[2-(trifluoromethoxy)phenyl]anilino]pentyl]-2-(trifluoromethoxy)acetamide
CID 146648979
2-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-hydroxyacetic acid
CID 118835656
trans-(1R,3R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-fluorocyclohexane-1-carboxamide;hydrochloride
CID 158244045
2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993965
6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 134630932
1,2-dichloro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 118996198
(2R,4R)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-4-fluoropiperidine-2-carboxamide;molecular hydrogen;hydrochloride
CID 157218619
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-1-(2,2,2-trifluoroacetyl)piperidine-2-carboxamide
CID 130292250
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide
CID 71286023
3-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134626254
1-(3-aminopropanoyl)-N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]piperidine-4-carboxamide
CID 135389535

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide?
The IUPAC name of N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide (CID 130293163) is N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide.
What is the SMILES notation for N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide?
The canonical SMILES for N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide is O=CNc1ccc(-c2ccccc2OC(F)(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide?
The InChIKey is YPHDFRMONFUIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c15-12-7-9(19-8-20)5-6-10(12)11-3-1-2-4-13(11)21-14(16,17)18/h1-8H,(H,19,20).
What are the key properties of N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide?
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide has a molecular weight of 315.68 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]formamide is sourced from PubChem (CID 130293163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).