N-[3-(butanoylamino)phenyl]-2-(trifluoromethoxy)benzamide

C18H17F3N2O3 — CID 50910535

IUPACN-[3-(butanoylamino)phenyl]-2-(trifluoromethoxy)benzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c1-2-6-16(24)22-12-7-5-8-13(11-12)23-17(25)14-9-3-4-10-15(14)26-18(19,20)21/h3-5,7-11H,2,6H2,1H3,(H,22,24)(H,23,25)
InChIKeySBGLPXZELWMVGV-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.58
Rot. Bonds6

About N-[3-(butanoylamino)phenyl]-2-(trifluoromethoxy)benzamide

N-[3-(butanoylamino)phenyl]-2-(trifluoromethoxy)benzamide (PubChem CID 50910535) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-[3-(butanoylamino)phenyl]-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-(butanoylamino)phenyl]-2-(trifluoromethoxy)benzamide
PubChem CID50910535
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-[3-(butanoylamino)phenyl]-2-(trifluoromethoxy)benzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O3/c1-2-6-16(24)22-12-7-5-8-13(11-12)23-17(25)14-9-3-4-10-15(14)26-18(19,20)21/h3-5,7-11H,2,6H2,1H3,(H,22,24)(H,23,25)
InChIKeySBGLPXZELWMVGV-UHFFFAOYSA-N
XLogP4.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Benorylate
CID 21102
2-Hydroxy-N-(3-(trifluoromethyl)phenyl)benzamide
CID 68519
Benzamide, N-(3-methoxyphenyl)-2-(trifluoromethyl)-
CID 846634
Anilamate
CID 21798
N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
Salverine
CID 65585
N-(4-Methoxyphenyl)-2-hydroxybenzamide
CID 478806
N-(4-Ethoxyphenyl)-2-hydroxybenzamide
CID 94777
O-(o-Aminophenoxy)benzoic acid lactam
CID 72374
2-Fluoro-N-(4-methoxyphenyl)benzamide
CID 579408
2-methoxy-N-[3-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 46785920
N-(4-ethoxyphenyl)-2-methoxybenzamide
CID 700573

Frequently Asked Questions

What is the IUPAC name of N-[3-(butanoylamino)phenyl]-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-(butanoylamino)phenyl]-2-(trifluoromethoxy)benzamide (CID 50910535) is N-[3-(butanoylamino)phenyl]-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-(butanoylamino)phenyl]-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-(butanoylamino)phenyl]-2-(trifluoromethoxy)benzamide is CCCC(=O)Nc1cccc(NC(=O)c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of N-[3-(butanoylamino)phenyl]-2-(trifluoromethoxy)benzamide?
The InChIKey is SBGLPXZELWMVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-2-6-16(24)22-12-7-5-8-13(11-12)23-17(25)14-9-3-4-10-15(14)26-18(19,20)21/h3-5,7-11H,2,6H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-(butanoylamino)phenyl]-2-(trifluoromethoxy)benzamide?
N-[3-(butanoylamino)phenyl]-2-(trifluoromethoxy)benzamide has a molecular weight of 366.34 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butanoylamino)phenyl]-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 50910535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).