N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(trifluoromethoxy)benzamide

C22H17F3N2O3 — CID 50919320

IUPACN-[3-[(3-methylbenzoyl)amino]phenyl]-2-(trifluoromethoxy)benzamide
SMILESCc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3OC(F)(F)F)c2)c1
InChIInChI=1S/C22H17F3N2O3/c1-14-6-4-7-15(12-14)20(28)26-16-8-5-9-17(13-16)27-21(29)18-10-2-3-11-19(18)30-22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyPKFCOUBPBLEJMZ-UHFFFAOYSA-N
MW414.38 g/mol
LogP5.40
Rot. Bonds5

About N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(trifluoromethoxy)benzamide

N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(trifluoromethoxy)benzamide (PubChem CID 50919320) has the molecular formula C22H17F3N2O3 and a molecular weight of 414.38 g/mol. Its IUPAC name is N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-[(3-methylbenzoyl)amino]phenyl]-2-(trifluoromethoxy)benzamide
PubChem CID50919320
Molecular FormulaC22H17F3N2O3
Molecular Weight414.38 g/mol
Exact Mass414.12
IUPAC NameN-[3-[(3-methylbenzoyl)amino]phenyl]-2-(trifluoromethoxy)benzamide
SMILESCc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3OC(F)(F)F)c2)c1
InChIInChI=1S/C22H17F3N2O3/c1-14-6-4-7-15(12-14)20(28)26-16-8-5-9-17(13-16)27-21(29)18-10-2-3-11-19(18)30-22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyPKFCOUBPBLEJMZ-UHFFFAOYSA-N
XLogP5.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.38
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[3-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 46785920
N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 700573
2-methoxy-N-[2-(piperidin-1-yl)phenyl]benzamide
CID 756103
5-amino-2-ethoxy-N-(3-trifluoromethylphenyl)benzamide
CID 52913206
2-methoxy-N-(4-methylphenyl)benzamide
CID 780793
1-N,3-N-bis(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 138884
N-(3-(3-cyanobenzamido)phenyl)-2-methoxybenzamide
CID 46879969
2-propan-2-yloxy-N-[3-[[2-(trifluoromethoxy)benzoyl]amino]phenyl]benzamide
CID 53301913
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 795568
N-benzyl-2-methoxy-N-(4-methylphenyl)benzamide
CID 965190
2-[(4-fluorobenzyl)oxy]-N-phenylbenzamide
CID 977943
N-(4-Benzoylamino-phenyl)-2-ethoxy-benzamide
CID 1096891

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(trifluoromethoxy)benzamide (CID 50919320) is N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(trifluoromethoxy)benzamide is Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccccc3OC(F)(F)F)c2)c1.
What is the InChIKey of N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is PKFCOUBPBLEJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O3/c1-14-6-4-7-15(12-14)20(28)26-16-8-5-9-17(13-16)27-21(29)18-10-2-3-11-19(18)30-22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(trifluoromethoxy)benzamide?
N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 414.38 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 50919320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).