ethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide

C19H22F3NO2 — CID 163370448

IUPACethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC.CCCc1ccc(O)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H16F3NO2.C2H6/c1-2-3-11-4-9-15(22)14(10-11)16(23)21-13-7-5-12(6-8-13)17(18,19)20;1-2/h4-10,22H,2-3H2,1H3,(H,21,23);1-2H3
InChIKeyHHSANPBLWHXSBZ-UHFFFAOYSA-N
MW353.38 g/mol
LogP5.64
Rot. Bonds4

About ethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide

ethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 163370448) has the molecular formula C19H22F3NO2 and a molecular weight of 353.38 g/mol. Its IUPAC name is ethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Nameethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID163370448
Molecular FormulaC19H22F3NO2
Molecular Weight353.38 g/mol
Exact Mass353.16
IUPAC Nameethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC.CCCc1ccc(O)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H16F3NO2.C2H6/c1-2-3-11-4-9-15(22)14(10-11)16(23)21-13-7-5-12(6-8-13)17(18,19)20;1-2/h4-10,22H,2-3H2,1H3,(H,21,23);1-2H3
InChIKeyHHSANPBLWHXSBZ-UHFFFAOYSA-N
XLogP5.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.38
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide
CID 87679807
2-hydroxy-5-pentyl-N-phenylbenzamide
CID 69463997
4,5-dichloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 134151897
2-hydroxy-N-(6-nitronaphthalen-2-yl)-5-propylbenzamide
CID 163370484
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 71554885
5-bromo-4-chloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 134146320
5-chloro-N-(4-hexylphenyl)-2-hydroxybenzamide
CID 11994494
4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 4880235
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818
N-[4-[[ethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]phenyl]-4-octylbenzamide
CID 67188920

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of ethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide (CID 163370448) is ethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for ethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for ethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide is CC.CCCc1ccc(O)c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of ethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HHSANPBLWHXSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2.C2H6/c1-2-3-11-4-9-15(22)14(10-11)16(23)21-13-7-5-12(6-8-13)17(18,19)20;1-2/h4-10,22H,2-3H2,1H3,(H,21,23);1-2H3.
What are the key properties of ethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide?
ethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 353.38 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxy-5-propyl-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 163370448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).