N-[2-cyano-1-(5,7-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide

C19H13Cl2F3N4O2 — CID 66620904

IUPACN-[2-cyano-1-(5,7-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide
SMILESCC(C#N)(Cn1cc2cc(Cl)cc(Cl)c2n1)NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H13Cl2F3N4O2/c1-18(9-25,10-28-8-12-6-13(20)7-15(21)16(12)27-28)26-17(29)11-2-4-14(5-3-11)30-19(22,23)24/h2-8H,10H2,1H3,(H,26,29)
InChIKeyDKFMVXDGCCXROA-UHFFFAOYSA-N
MW457.24 g/mol
LogP4.95
Rot. Bonds5

About N-[2-cyano-1-(5,7-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide

N-[2-cyano-1-(5,7-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 66620904) has the molecular formula C19H13Cl2F3N4O2 and a molecular weight of 457.24 g/mol. Its IUPAC name is N-[2-cyano-1-(5,7-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-cyano-1-(5,7-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide
PubChem CID66620904
Molecular FormulaC19H13Cl2F3N4O2
Molecular Weight457.24 g/mol
Exact Mass456.04
IUPAC NameN-[2-cyano-1-(5,7-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide
SMILESCC(C#N)(Cn1cc2cc(Cl)cc(Cl)c2n1)NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H13Cl2F3N4O2/c1-18(9-25,10-28-8-12-6-13(20)7-15(21)16(12)27-28)26-17(29)11-2-4-14(5-3-11)30-19(22,23)24/h2-8H,10H2,1H3,(H,26,29)
InChIKeyDKFMVXDGCCXROA-UHFFFAOYSA-N
XLogP4.95
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.24
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-cyano-1-(4,6-dichlorobenzotriazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 25122294
N-[1-(6-chloro-7-methylpyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 66621055
N-[(2S)-1-(6-bromopyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide;N-[(2R)-1-(6-bromopyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 159425451
N-[(2S)-1-(6-bromopyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 59327627
N-[1-(2-chloro-5-fluorophenoxy)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 24808425
N-[1-(6-chloro-3-propoxyindazol-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 66620737
N-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 10161424
N-[(2R)-1-[2-[2-chloro-4-(trifluoromethoxy)phenoxy]-5-cyanophenoxy]-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 88879523
N-[2-cyano-1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 10227147
N-[1-(2-bromo-4-cyanophenoxy)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 11784618
N-[2-cyano-1-(4,6-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethyl)benzenecarbothioamide
CID 86625588
N-[2-cyano-1-(4,6-dibromo-4-fluoro-1H-benzotriazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 142789553

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-1-(5,7-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-cyano-1-(5,7-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide (CID 66620904) is N-[2-cyano-1-(5,7-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-cyano-1-(5,7-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-cyano-1-(5,7-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide is CC(C#N)(Cn1cc2cc(Cl)cc(Cl)c2n1)NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-cyano-1-(5,7-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is DKFMVXDGCCXROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F3N4O2/c1-18(9-25,10-28-8-12-6-13(20)7-15(21)16(12)27-28)26-17(29)11-2-4-14(5-3-11)30-19(22,23)24/h2-8H,10H2,1H3,(H,26,29).
What are the key properties of N-[2-cyano-1-(5,7-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide?
N-[2-cyano-1-(5,7-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 457.24 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-1-(5,7-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 66620904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).