N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide

C21H15ClF3NO2 — CID 16650954

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide
SMILESCc1cccc(Oc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1
InChIInChI=1S/C21H15ClF3NO2/c1-13-3-2-4-17(11-13)28-16-8-5-14(6-9-16)20(27)26-15-7-10-19(22)18(12-15)21(23,24)25/h2-12H,1H3,(H,26,27)
InChIKeyPUKNCESVLBNBDR-UHFFFAOYSA-N
MW405.80 g/mol
LogP6.71
Rot. Bonds4

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide (PubChem CID 16650954) has the molecular formula C21H15ClF3NO2 and a molecular weight of 405.80 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide
PubChem CID16650954
Molecular FormulaC21H15ClF3NO2
Molecular Weight405.80 g/mol
Exact Mass405.07
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide
SMILESCc1cccc(Oc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1
InChIInChI=1S/C21H15ClF3NO2/c1-13-3-2-4-17(11-13)28-16-8-5-14(6-9-16)20(27)26-15-7-10-19(22)18(12-15)21(23,24)25/h2-12H,1H3,(H,26,27)
InChIKeyPUKNCESVLBNBDR-UHFFFAOYSA-N
XLogP6.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.80
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16650952
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 1254888
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
N-(3-fluorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650951
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 55678662
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
4-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126415021
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652
3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-methylphenoxy]benzoic acid
CID 56836646

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide (CID 16650954) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide is Cc1cccc(Oc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide?
The InChIKey is PUKNCESVLBNBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3NO2/c1-13-3-2-4-17(11-13)28-16-8-5-14(6-9-16)20(27)26-15-7-10-19(22)18(12-15)21(23,24)25/h2-12H,1H3,(H,26,27).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide has a molecular weight of 405.80 g/mol, XLogP of 6.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide is sourced from PubChem (CID 16650954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).