4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide

C10H9F3N2O3 — CID 63374757

IUPAC4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C10H9F3N2O3/c1-18-7-3-2-5(8(14)16)4-6(7)15-9(17)10(11,12)13/h2-4H,1H3,(H2,14,16)(H,15,17)
InChIKeyDAQQESBIJMBUGK-UHFFFAOYSA-N
MW262.19 g/mol
LogP1.29
Rot. Bonds3

About 4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide

4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 63374757) has the molecular formula C10H9F3N2O3 and a molecular weight of 262.19 g/mol. Its IUPAC name is 4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID63374757
Molecular FormulaC10H9F3N2O3
Molecular Weight262.19 g/mol
Exact Mass262.06
IUPAC Name4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)C(F)(F)F
InChIInChI=1S/C10H9F3N2O3/c1-18-7-3-2-5(8(14)16)4-6(7)15-9(17)10(11,12)13/h2-4H,1H3,(H2,14,16)(H,15,17)
InChIKeyDAQQESBIJMBUGK-UHFFFAOYSA-N
XLogP1.29
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
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4-methoxy-3-[[2-(methylamino)acetyl]amino]benzamide
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3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide
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4-methoxy-3-(propan-2-ylamino)benzamide
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N-[5-(hydrazinecarbonyl)-2-methoxyphenyl]-2,2-dimethylpropanamide
CID 15509074
3-[[(2S)-2-aminohexanoyl]amino]-4-methoxybenzamide
CID 103831255
N-(5-carbamoyl-2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 55783153
N-(5-acetyl-2-ethoxyphenyl)-2,2,2-trifluoroacetamide
CID 82156351
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of 4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 63374757) is 4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for 4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for 4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide is COc1ccc(C(N)=O)cc1NC(=O)C(F)(F)F.
What is the InChIKey of 4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is DAQQESBIJMBUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O3/c1-18-7-3-2-5(8(14)16)4-6(7)15-9(17)10(11,12)13/h2-4H,1H3,(H2,14,16)(H,15,17).
What are the key properties of 4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide?
4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 262.19 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 63374757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).