N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide

C22H17F3N2O4 — CID 26522670

IUPACN-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C22H17F3N2O4/c1-30-19-5-3-2-4-18(19)27-21(29)14-6-10-16(11-7-14)26-20(28)15-8-12-17(13-9-15)31-22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyLPWACQMQGKPLSH-UHFFFAOYSA-N
MW430.38 g/mol
LogP5.10
Rot. Bonds6

About N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide

N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide (PubChem CID 26522670) has the molecular formula C22H17F3N2O4 and a molecular weight of 430.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
PubChem CID26522670
Molecular FormulaC22H17F3N2O4
Molecular Weight430.38 g/mol
Exact Mass430.11
IUPAC NameN-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C22H17F3N2O4/c1-30-19-5-3-2-4-18(19)27-21(29)14-6-10-16(11-7-14)26-20(28)15-8-12-17(13-9-15)31-22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29)
InChIKeyLPWACQMQGKPLSH-UHFFFAOYSA-N
XLogP5.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.38
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-(2-ethoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 7935075
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9083669
N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 55905383
N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide
CID 2441416
2-bromo-5-methoxy-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 26522460
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
2,3-dimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 24641310
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide (CID 26522670) is N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide?
The InChIKey is LPWACQMQGKPLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O4/c1-30-19-5-3-2-4-18(19)27-21(29)14-6-10-16(11-7-14)26-20(28)15-8-12-17(13-9-15)31-22(23,24)25/h2-13H,1H3,(H,26,28)(H,27,29).
What are the key properties of N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide?
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide has a molecular weight of 430.38 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide is sourced from PubChem (CID 26522670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).