N-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide

C17H11F7N2O2 — CID 4063342

IUPACN-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H11F7N2O2/c18-9-5-7-10(8-6-9)25-14(27)11-3-1-2-4-12(11)26-15(28)13(16(19,20)21)17(22,23)24/h1-8,13H,(H,25,27)(H,26,28)
InChIKeyDCQHQVDTYFVRKC-UHFFFAOYSA-N
MW408.27 g/mol
LogP4.76
Rot. Bonds4

About N-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide

N-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide (PubChem CID 4063342) has the molecular formula C17H11F7N2O2 and a molecular weight of 408.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide
PubChem CID4063342
Molecular FormulaC17H11F7N2O2
Molecular Weight408.27 g/mol
Exact Mass408.07
IUPAC NameN-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H11F7N2O2/c18-9-5-7-10(8-6-9)25-14(27)11-3-1-2-4-12(11)26-15(28)13(16(19,20)21)17(22,23)24/h1-8,13H,(H,25,27)(H,26,28)
InChIKeyDCQHQVDTYFVRKC-UHFFFAOYSA-N
XLogP4.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.27
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzoic acid
CID 589696
2-[[2-[(4-fluorophenyl)carbamoyl]phenyl]carbamoyl]benzoic acid
CID 982173
N-(4-fluorophenyl)-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7312062
N-(4-fluorophenyl)-2-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 7312055
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
2-[(2-cyanoacetyl)amino]-N-(4-fluorophenyl)benzamide
CID 168522524
2-[(4-fluorobenzoyl)amino]-N-(4-methoxyphenyl)benzamide
CID 2227245
N-(4-fluorophenyl)-2-[(4-methoxybenzoyl)amino]benzamide
CID 1307045
N-[2-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 4919442
2-(2,2-dicyanoethenylamino)-N-(4-fluorophenyl)benzamide
CID 26485421
5-fluoro-2-(2-hydroxypropanoylamino)-N-phenylbenzamide
CID 134314964
N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42926742

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide (CID 4063342) is N-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide is O=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide?
The InChIKey is DCQHQVDTYFVRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F7N2O2/c18-9-5-7-10(8-6-9)25-14(27)11-3-1-2-4-12(11)26-15(28)13(16(19,20)21)17(22,23)24/h1-8,13H,(H,25,27)(H,26,28).
What are the key properties of N-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide?
N-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide has a molecular weight of 408.27 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzamide is sourced from PubChem (CID 4063342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).