2-chloro-N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]acetamide

C22H14ClF5N2O3 — CID 160702086

IUPAC2-chloro-N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CCl)Nc1cc(C(=O)Cc2ccc(-c3cc(F)cc(F)c3)nc2)ccc1OC(F)(F)F
InChIInChI=1S/C22H14ClF5N2O3/c23-10-21(32)30-18-8-13(2-4-20(18)33-22(26,27)28)19(31)5-12-1-3-17(29-11-12)14-6-15(24)9-16(25)7-14/h1-4,6-9,11H,5,10H2,(H,30,32)
InChIKeyRQTDESQAZUINGA-UHFFFAOYSA-N
MW484.81 g/mol
LogP5.53
Rot. Bonds7

About 2-chloro-N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]acetamide

2-chloro-N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]acetamide (PubChem CID 160702086) has the molecular formula C22H14ClF5N2O3 and a molecular weight of 484.81 g/mol. Its IUPAC name is 2-chloro-N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]acetamide
PubChem CID160702086
Molecular FormulaC22H14ClF5N2O3
Molecular Weight484.81 g/mol
Exact Mass484.06
IUPAC Name2-chloro-N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CCl)Nc1cc(C(=O)Cc2ccc(-c3cc(F)cc(F)c3)nc2)ccc1OC(F)(F)F
InChIInChI=1S/C22H14ClF5N2O3/c23-10-21(32)30-18-8-13(2-4-20(18)33-22(26,27)28)19(31)5-12-1-3-17(29-11-12)14-6-15(24)9-16(25)7-14/h1-4,6-9,11H,5,10H2,(H,30,32)
InChIKeyRQTDESQAZUINGA-UHFFFAOYSA-N
XLogP5.53
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.81
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylpropanamide
CID 158279988
N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]-2-oxoethyl]-2-(trifluoromethoxy)phenyl]-2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]acetamide
CID 147356457
3-[(2-chloroacetyl)amino]-N-(5-phenylpyrimidin-2-yl)-4-(trifluoromethoxy)benzamide
CID 118385290
2-morpholin-4-yl-N-[5-[2-(4-pyrimidin-5-ylphenyl)acetyl]-2-(trifluoromethoxy)phenyl]acetamide
CID 160927857
N-[5-(3,5-difluorophenyl)pyrazin-2-yl]-3-[[2-(4-methylpiperazin-1-yl)acetyl]amino]-4-(trifluoromethoxy)benzamide
CID 118390259
N-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide
CID 160817530
6-(3,5-difluorophenyl)-N-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 90459277
N-[5-(3,5-difluorophenyl)pyrazin-2-yl]-3-[2-(4-methylpiperazin-1-yl)ethylamino]-4-(trifluoromethoxy)benzamide
CID 123170070
N-[5-[2-[6-(2-fluorophenyl)-3-pyridinyl]acetyl]-2-methoxyphenyl]-2-morpholin-4-ylacetamide
CID 148797037
N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
CID 118385301
2-chloro-N-[3-fluoro-4-(trifluoromethoxy)phenyl]acetamide
CID 166432051
N-[5-[2-(3,4-dichlorophenyl)acetyl]-2-methoxyphenyl]-3-methylbutanamide
CID 158506803

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]acetamide (CID 160702086) is 2-chloro-N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]acetamide is O=C(CCl)Nc1cc(C(=O)Cc2ccc(-c3cc(F)cc(F)c3)nc2)ccc1OC(F)(F)F.
What is the InChIKey of 2-chloro-N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is RQTDESQAZUINGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF5N2O3/c23-10-21(32)30-18-8-13(2-4-20(18)33-22(26,27)28)19(31)5-12-1-3-17(29-11-12)14-6-15(24)9-16(25)7-14/h1-4,6-9,11H,5,10H2,(H,30,32).
What are the key properties of 2-chloro-N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]acetamide?
2-chloro-N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 484.81 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[2-[6-(3,5-difluorophenyl)-3-pyridinyl]acetyl]-2-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 160702086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).