2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide

C17H16ClF3N2O3 — CID 118497834

IUPAC2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(OCC(F)(F)F)cn2)c(Cl)c1
InChIInChI=1S/C17H16ClF3N2O3/c1-10(15-6-4-12(8-22-15)26-9-17(19,20)21)23-16(24)13-5-3-11(25-2)7-14(13)18/h3-8,10H,9H2,1-2H3,(H,23,24)
InChIKeyYKIUMZGNFGUSKQ-UHFFFAOYSA-N
MW388.77 g/mol
LogP4.18
Rot. Bonds6

About 2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide

2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide (PubChem CID 118497834) has the molecular formula C17H16ClF3N2O3 and a molecular weight of 388.77 g/mol. Its IUPAC name is 2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
PubChem CID118497834
Molecular FormulaC17H16ClF3N2O3
Molecular Weight388.77 g/mol
Exact Mass388.08
IUPAC Name2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(OCC(F)(F)F)cn2)c(Cl)c1
InChIInChI=1S/C17H16ClF3N2O3/c1-10(15-6-4-12(8-22-15)26-9-17(19,20)21)23-16(24)13-5-3-11(25-2)7-14(13)18/h3-8,10H,9H2,1-2H3,(H,23,24)
InChIKeyYKIUMZGNFGUSKQ-UHFFFAOYSA-N
XLogP4.18
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.77
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 118497793
N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 87342332
N-[(1S)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 87340431
3-(4-chlorophenoxy)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]propanamide
CID 67290991
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-6-(trifluoromethyl)-1H-indole-3-carboxamide
CID 87342000
5-chloro-1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]indole-2-carboxamide
CID 67290649
5-chloro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1H-indole-2-carboxamide
CID 67289991
4-phenoxy-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide
CID 67290329
2-(6-chloro-5-fluoro-3-pyridinyl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 162543824
N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]quinoxaline-2-carboxamide
CID 67290537
2-(3,5-dimethylphenoxy)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 67290853
2-(3-chloro-1H-indol-6-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
CID 74819881

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide?
The IUPAC name of 2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide (CID 118497834) is 2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide?
The canonical SMILES for 2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide is COc1ccc(C(=O)NC(C)c2ccc(OCC(F)(F)F)cn2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide?
The InChIKey is YKIUMZGNFGUSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O3/c1-10(15-6-4-12(8-22-15)26-9-17(19,20)21)23-16(24)13-5-3-11(25-2)7-14(13)18/h3-8,10H,9H2,1-2H3,(H,23,24).
What are the key properties of 2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide?
2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide has a molecular weight of 388.77 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 118497834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).