5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide

C17H14BrClF3NO2 — CID 54787114

IUPAC5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H14BrClF3NO2/c1-2-7-25-15-6-4-11(18)9-12(15)16(24)23-14-8-10(17(20,21)22)3-5-13(14)19/h3-6,8-9H,2,7H2,1H3,(H,23,24)
InChIKeyLOYVPWWCDPXLDR-UHFFFAOYSA-N
MW436.66 g/mol
LogP6.16
Rot. Bonds5

About 5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide

5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide (PubChem CID 54787114) has the molecular formula C17H14BrClF3NO2 and a molecular weight of 436.66 g/mol. Its IUPAC name is 5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide
PubChem CID54787114
Molecular FormulaC17H14BrClF3NO2
Molecular Weight436.66 g/mol
Exact Mass434.98
IUPAC Name5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H14BrClF3NO2/c1-2-7-25-15-6-4-11(18)9-12(15)16(24)23-14-8-10(17(20,21)22)3-5-13(14)19/h3-6,8-9H,2,7H2,1H3,(H,23,24)
InChIKeyLOYVPWWCDPXLDR-UHFFFAOYSA-N
XLogP6.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.66
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 54787042
5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide
CID 17351367
5-bromo-N-(4-chlorophenyl)-2-propoxybenzamide
CID 17351377
5-bromo-N-(4-iodophenyl)-2-propoxybenzamide
CID 17351391
5-bromo-N-(2,3-dimethylphenyl)-2-propoxybenzamide
CID 17351460
4-fluoro-2-iodo-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 38905531
2-butoxy-N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 54787028
4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 132587573
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
5-bromo-N-[5-(butanoylamino)-2-chlorophenyl]-2-(2-phenylethoxy)benzamide
CID 17174595
5-bromo-N-[2-methyl-3-(propanoylamino)phenyl]-2-propoxybenzamide
CID 46760619
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 871827

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide?
The IUPAC name of 5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide (CID 54787114) is 5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide.
What is the SMILES notation for 5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide?
The canonical SMILES for 5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide is CCCOc1ccc(Br)cc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide?
The InChIKey is LOYVPWWCDPXLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrClF3NO2/c1-2-7-25-15-6-4-11(18)9-12(15)16(24)23-14-8-10(17(20,21)22)3-5-13(14)19/h3-6,8-9H,2,7H2,1H3,(H,23,24).
What are the key properties of 5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide?
5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide has a molecular weight of 436.66 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-propoxybenzamide is sourced from PubChem (CID 54787114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).