4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide

C18H17ClF3NO2 — CID 4512796

IUPAC4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C18H17ClF3NO2/c1-2-3-10-25-14-7-4-12(5-8-14)17(24)23-16-9-6-13(19)11-15(16)18(20,21)22/h4-9,11H,2-3,10H2,1H3,(H,23,24)
InChIKeyVQTMDCZUMCFBQR-UHFFFAOYSA-N
MW371.79 g/mol
LogP5.79
Rot. Bonds6

About 4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide

4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 4512796) has the molecular formula C18H17ClF3NO2 and a molecular weight of 371.79 g/mol. Its IUPAC name is 4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
PubChem CID4512796
Molecular FormulaC18H17ClF3NO2
Molecular Weight371.79 g/mol
Exact Mass371.09
IUPAC Name4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C18H17ClF3NO2/c1-2-3-10-25-14-7-4-12(5-8-14)17(24)23-16-9-6-13(19)11-15(16)18(20,21)22/h4-9,11H,2-3,10H2,1H3,(H,23,24)
InChIKeyVQTMDCZUMCFBQR-UHFFFAOYSA-N
XLogP5.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.79
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-iodo-2-(trifluoromethyl)phenyl]-4-propoxybenzamide
CID 3657897
4-[(2-chlorophenyl)methoxy]-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 19916448
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
N-(2-amino-4-chlorophenyl)-4-propoxybenzamide
CID 91687642
1-N-butyl-3-N-[4-chloro-2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109051222
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
3-butoxy-N-[4-iodo-2-(trifluoromethyl)phenyl]benzamide
CID 3875364
3-N-butyl-5-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102080
4-butoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 4936163
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315
2-(4-chlorophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 1352117
1-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108888189

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide (CID 4512796) is 4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1.
What is the InChIKey of 4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is VQTMDCZUMCFBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO2/c1-2-3-10-25-14-7-4-12(5-8-14)17(24)23-16-9-6-13(19)11-15(16)18(20,21)22/h4-9,11H,2-3,10H2,1H3,(H,23,24).
What are the key properties of 4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide?
4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 371.79 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 4512796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).