N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

C18H13F6NO2 — CID 59811281

IUPACN-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(/C=C/C(F)(F)F)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H13F6NO2/c1-27-15-9-13(18(22,23)24)8-14(10-15)25-16(26)12-4-2-11(3-5-12)6-7-17(19,20)21/h2-10H,1H3,(H,25,26)/b7-6+
InChIKeyZODGAHNFDUQMQY-VOTSOKGWSA-N
MW389.30 g/mol
LogP5.54
Rot. Bonds4

About N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide

N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (PubChem CID 59811281) has the molecular formula C18H13F6NO2 and a molecular weight of 389.30 g/mol. Its IUPAC name is N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
PubChem CID59811281
Molecular FormulaC18H13F6NO2
Molecular Weight389.30 g/mol
Exact Mass389.09
IUPAC NameN-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
SMILESCOc1cc(NC(=O)c2ccc(/C=C/C(F)(F)F)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H13F6NO2/c1-27-15-9-13(18(22,23)24)8-14(10-15)25-16(26)12-4-2-11(3-5-12)6-7-17(19,20)21/h2-10H,1H3,(H,25,26)/b7-6+
InChIKeyZODGAHNFDUQMQY-VOTSOKGWSA-N
XLogP5.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.30
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-3,3-dimethylbut-1-enyl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide
CID 11417563
N-(3,5-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide
CID 134059612
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide
CID 2328696
N-(2-chloro-4-pyridinyl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 59811399
dimethyl 5-[[4-(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 4810797
methyl 3-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 53356057
N-(3,5-dimethoxyphenyl)-4-(methylamino)benzamide
CID 62170663
N-[3,5-bis(trifluoromethyl)phenyl]-4-iodobenzamide
CID 94844570
N-[3,5-bis(trifluoromethyl)phenyl]-3-chloro-4-methoxybenzamide
CID 2268375
N-(3-amino-5-methoxyphenyl)-3-(trifluoromethyl)benzamide
CID 69057355
N-(1H-indol-5-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 72581666
N-(3-methoxyphenyl)-4-[(E)-3-methylbut-1-enyl]benzamide
CID 59811250

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The IUPAC name of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide (CID 59811281) is N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide.
What is the SMILES notation for N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The canonical SMILES for N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is COc1cc(NC(=O)c2ccc(/C=C/C(F)(F)F)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
The InChIKey is ZODGAHNFDUQMQY-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H13F6NO2/c1-27-15-9-13(18(22,23)24)8-14(10-15)25-16(26)12-4-2-11(3-5-12)6-7-17(19,20)21/h2-10H,1H3,(H,25,26)/b7-6+.
What are the key properties of N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide?
N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide has a molecular weight of 389.30 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide is sourced from PubChem (CID 59811281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).