N-(2-hexylphenyl)-2-(trifluoromethyl)benzamide;2-phenylbenzamide

C33H33F3N2O2 — CID 69225051

IUPACN-(2-hexylphenyl)-2-(trifluoromethyl)benzamide;2-phenylbenzamide
SMILESCCCCCCc1ccccc1NC(=O)c1ccccc1C(F)(F)F.NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H22F3NO.C13H11NO/c1-2-3-4-5-10-15-11-6-9-14-18(15)24-19(25)16-12-7-8-13-17(16)20(21,22)23;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6-9,11-14H,2-5,10H2,1H3,(H,24,25);1-9H,(H2,14,15)
InChIKeyWFOHDYUZWANJFP-UHFFFAOYSA-N
MW546.63 g/mol
LogP8.53
Rot. Bonds9

About N-(2-hexylphenyl)-2-(trifluoromethyl)benzamide;2-phenylbenzamide

N-(2-hexylphenyl)-2-(trifluoromethyl)benzamide;2-phenylbenzamide (PubChem CID 69225051) has the molecular formula C33H33F3N2O2 and a molecular weight of 546.63 g/mol. Its IUPAC name is N-(2-hexylphenyl)-2-(trifluoromethyl)benzamide;2-phenylbenzamide.

Molecular Properties

Compound NameN-(2-hexylphenyl)-2-(trifluoromethyl)benzamide;2-phenylbenzamide
PubChem CID69225051
Molecular FormulaC33H33F3N2O2
Molecular Weight546.63 g/mol
Exact Mass546.25
IUPAC NameN-(2-hexylphenyl)-2-(trifluoromethyl)benzamide;2-phenylbenzamide
SMILESCCCCCCc1ccccc1NC(=O)c1ccccc1C(F)(F)F.NC(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H22F3NO.C13H11NO/c1-2-3-4-5-10-15-11-6-9-14-18(15)24-19(25)16-12-7-8-13-17(16)20(21,22)23;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6-9,11-14H,2-5,10H2,1H3,(H,24,25);1-9H,(H2,14,15)
InChIKeyWFOHDYUZWANJFP-UHFFFAOYSA-N
XLogP8.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.63
LogP ≤ 58.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 90027377
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2-octylbenzamide
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3-heptyl-N-[2-[(3-heptyl-2-hydroxybenzoyl)amino]phenyl]-2-hydroxybenzamide
CID 101305922
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
N-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide
CID 54404494
N-(2-tridecylphenyl)prop-2-enamide
CID 175316873
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CID 67160180

Frequently Asked Questions

What is the IUPAC name of N-(2-hexylphenyl)-2-(trifluoromethyl)benzamide;2-phenylbenzamide?
The IUPAC name of N-(2-hexylphenyl)-2-(trifluoromethyl)benzamide;2-phenylbenzamide (CID 69225051) is N-(2-hexylphenyl)-2-(trifluoromethyl)benzamide;2-phenylbenzamide.
What is the SMILES notation for N-(2-hexylphenyl)-2-(trifluoromethyl)benzamide;2-phenylbenzamide?
The canonical SMILES for N-(2-hexylphenyl)-2-(trifluoromethyl)benzamide;2-phenylbenzamide is CCCCCCc1ccccc1NC(=O)c1ccccc1C(F)(F)F.NC(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of N-(2-hexylphenyl)-2-(trifluoromethyl)benzamide;2-phenylbenzamide?
The InChIKey is WFOHDYUZWANJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO.C13H11NO/c1-2-3-4-5-10-15-11-6-9-14-18(15)24-19(25)16-12-7-8-13-17(16)20(21,22)23;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6-9,11-14H,2-5,10H2,1H3,(H,24,25);1-9H,(H2,14,15).
What are the key properties of N-(2-hexylphenyl)-2-(trifluoromethyl)benzamide;2-phenylbenzamide?
N-(2-hexylphenyl)-2-(trifluoromethyl)benzamide;2-phenylbenzamide has a molecular weight of 546.63 g/mol, XLogP of 8.53, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hexylphenyl)-2-(trifluoromethyl)benzamide;2-phenylbenzamide is sourced from PubChem (CID 69225051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).