N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide

C15H11F3N2O2 — CID 86646005

IUPACN-(3-formamidophenyl)-3-(trifluoromethyl)benzamide
SMILESO=CNc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)11-4-1-3-10(7-11)14(22)20-13-6-2-5-12(8-13)19-9-21/h1-9H,(H,19,21)(H,20,22)
InChIKeyXBRREOFDIHCPDU-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.53
Rot. Bonds4

About N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide

N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide (PubChem CID 86646005) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-formamidophenyl)-3-(trifluoromethyl)benzamide
PubChem CID86646005
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC NameN-(3-formamidophenyl)-3-(trifluoromethyl)benzamide
SMILESO=CNc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)11-4-1-3-10(7-11)14(22)20-13-6-2-5-12(8-13)19-9-21/h1-9H,(H,19,21)(H,20,22)
InChIKeyXBRREOFDIHCPDU-UHFFFAOYSA-N
XLogP3.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
N-(3-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
CID 2665623
N-[3-[4-(methylamino)butanoylamino]phenyl]-3-(trifluoromethyl)benzamide
CID 119775980
3-[[3-(trifluoromethyl)phenyl]carbamoyl]benzenesulfonyl chloride
CID 16788394
3-methoxy-N-[3-[[[3-(trifluoromethyl)benzoyl]amino]carbamoyl]phenyl]benzamide
CID 126228131
2,6-difluoro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 26289494
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
CID 104779331
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 119775990

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide (CID 86646005) is N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide is O=CNc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is XBRREOFDIHCPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c16-15(17,18)11-4-1-3-10(7-11)14(22)20-13-6-2-5-12(8-13)19-9-21/h1-9H,(H,19,21)(H,20,22).
What are the key properties of N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide?
N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 308.26 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 86646005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).