N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-(trifluoromethyl)benzamide

C17H15Cl2F3N2O2 — CID 173092504

IUPACN-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-(trifluoromethyl)benzamide
SMILESCCC(COc1cnc(Cl)c(Cl)c1)NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15Cl2F3N2O2/c1-2-12(9-26-13-7-14(18)15(19)23-8-13)24-16(25)10-4-3-5-11(6-10)17(20,21)22/h3-8,12H,2,9H2,1H3,(H,24,25)
InChIKeyOZJNLGVMZGGQPO-UHFFFAOYSA-N
MW407.22 g/mol
LogP4.99
Rot. Bonds6

About N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-(trifluoromethyl)benzamide

N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 173092504) has the molecular formula C17H15Cl2F3N2O2 and a molecular weight of 407.22 g/mol. Its IUPAC name is N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID173092504
Molecular FormulaC17H15Cl2F3N2O2
Molecular Weight407.22 g/mol
Exact Mass406.05
IUPAC NameN-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-(trifluoromethyl)benzamide
SMILESCCC(COc1cnc(Cl)c(Cl)c1)NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15Cl2F3N2O2/c1-2-12(9-26-13-7-14(18)15(19)23-8-13)24-16(25)10-4-3-5-11(6-10)17(20,21)22/h3-8,12H,2,9H2,1H3,(H,24,25)
InChIKeyOZJNLGVMZGGQPO-UHFFFAOYSA-N
XLogP4.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.22
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-methoxybenzamide
CID 173092637
N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-2-(trifluoromethyl)benzamide
CID 173093170
3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 43079375
2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 43387176
5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 93040790
N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide
CID 102979678
N-[(2S)-1-(3,5-dichloropyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)benzamide
CID 73332142
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 7936459
N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)benzamide
CID 113484980
N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
CID 55749265
3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 47932930
3-[[2-chloro-4-(trifluoromethyl)phenoxy]methyl]-N-propan-2-ylbenzamide
CID 155154016

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-(trifluoromethyl)benzamide (CID 173092504) is N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-(trifluoromethyl)benzamide is CCC(COc1cnc(Cl)c(Cl)c1)NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is OZJNLGVMZGGQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N2O2/c1-2-12(9-26-13-7-14(18)15(19)23-8-13)24-16(25)10-4-3-5-11(6-10)17(20,21)22/h3-8,12H,2,9H2,1H3,(H,24,25).
What are the key properties of N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-(trifluoromethyl)benzamide?
N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 407.22 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 173092504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).