4-amino-N-[5-(1,1,2,2,3,3-hexafluoropropyl)-2-hydroxyphenyl]benzamide

C16H12F6N2O2 — CID 175048386

IUPAC4-amino-N-[5-(1,1,2,2,3,3-hexafluoropropyl)-2-hydroxyphenyl]benzamide
SMILESNc1ccc(C(=O)Nc2cc(C(F)(F)C(F)(F)C(F)F)ccc2O)cc1
InChIInChI=1S/C16H12F6N2O2/c17-14(18)16(21,22)15(19,20)9-3-6-12(25)11(7-9)24-13(26)8-1-4-10(23)5-2-8/h1-7,14,25H,23H2,(H,24,26)
InChIKeyNAZMEPYMECXFQA-UHFFFAOYSA-N
MW378.27 g/mol
LogP4.22
Rot. Bonds5

About 4-amino-N-[5-(1,1,2,2,3,3-hexafluoropropyl)-2-hydroxyphenyl]benzamide

4-amino-N-[5-(1,1,2,2,3,3-hexafluoropropyl)-2-hydroxyphenyl]benzamide (PubChem CID 175048386) has the molecular formula C16H12F6N2O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 4-amino-N-[5-(1,1,2,2,3,3-hexafluoropropyl)-2-hydroxyphenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[5-(1,1,2,2,3,3-hexafluoropropyl)-2-hydroxyphenyl]benzamide
PubChem CID175048386
Molecular FormulaC16H12F6N2O2
Molecular Weight378.27 g/mol
Exact Mass378.08
IUPAC Name4-amino-N-[5-(1,1,2,2,3,3-hexafluoropropyl)-2-hydroxyphenyl]benzamide
SMILESNc1ccc(C(=O)Nc2cc(C(F)(F)C(F)(F)C(F)F)ccc2O)cc1
InChIInChI=1S/C16H12F6N2O2/c17-14(18)16(21,22)15(19,20)9-3-6-12(25)11(7-9)24-13(26)8-1-4-10(23)5-2-8/h1-7,14,25H,23H2,(H,24,26)
InChIKeyNAZMEPYMECXFQA-UHFFFAOYSA-N
XLogP4.22
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4,5-diamino-2-hydroxyphenyl)benzamide
CID 134359397
3-amino-N-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]benzamide
CID 170150968
N-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[(4-nitrobenzoyl)amino]phenyl]propan-2-yl]-2-hydroxyphenyl]-4-nitrobenzamide
CID 5122238
4-amino-N-[4-[4-[(4-aminobenzoyl)amino]-3-hydroxyphenyl]-2-hydroxyphenyl]benzamide
CID 18986447
1-N,3-N-bis[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide
CID 58868378
N-(5-tert-butyl-2-hydroxyphenyl)-3-chloro-4-hydroxybenzamide
CID 29265235
N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide
CID 51573262
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide
CID 27673068
N-(2-hydroxy-5-methylphenyl)-4-[2,2,2-trifluoro-1-[4-[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]-1-iodoethyl]benzamide
CID 162548179
N-[5-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-3-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-[(4-methylbenzoyl)amino]phenyl]propan-2-yl]-2-hydroxyanilino]acetyl]benzamide
CID 89159474
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-(1,1,2,2,3,3-hexafluoropropyl)-2-hydroxyphenyl]benzamide?
The IUPAC name of 4-amino-N-[5-(1,1,2,2,3,3-hexafluoropropyl)-2-hydroxyphenyl]benzamide (CID 175048386) is 4-amino-N-[5-(1,1,2,2,3,3-hexafluoropropyl)-2-hydroxyphenyl]benzamide.
What is the SMILES notation for 4-amino-N-[5-(1,1,2,2,3,3-hexafluoropropyl)-2-hydroxyphenyl]benzamide?
The canonical SMILES for 4-amino-N-[5-(1,1,2,2,3,3-hexafluoropropyl)-2-hydroxyphenyl]benzamide is Nc1ccc(C(=O)Nc2cc(C(F)(F)C(F)(F)C(F)F)ccc2O)cc1.
What is the InChIKey of 4-amino-N-[5-(1,1,2,2,3,3-hexafluoropropyl)-2-hydroxyphenyl]benzamide?
The InChIKey is NAZMEPYMECXFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N2O2/c17-14(18)16(21,22)15(19,20)9-3-6-12(25)11(7-9)24-13(26)8-1-4-10(23)5-2-8/h1-7,14,25H,23H2,(H,24,26).
What are the key properties of 4-amino-N-[5-(1,1,2,2,3,3-hexafluoropropyl)-2-hydroxyphenyl]benzamide?
4-amino-N-[5-(1,1,2,2,3,3-hexafluoropropyl)-2-hydroxyphenyl]benzamide has a molecular weight of 378.27 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-(1,1,2,2,3,3-hexafluoropropyl)-2-hydroxyphenyl]benzamide is sourced from PubChem (CID 175048386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).