2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide

C17H14ClF3N4O — CID 22693430

IUPAC2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1ncc2ccc(N)cc21
InChIInChI=1S/C17H14ClF3N4O/c1-9(25-15-7-12(22)4-2-10(15)8-23-25)16(26)24-14-6-11(17(19,20)21)3-5-13(14)18/h2-9H,22H2,1H3,(H,24,26)
InChIKeyQUGDCOPTBKSFPX-UHFFFAOYSA-N
MW382.77 g/mol
LogP4.49
Rot. Bonds3

About 2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide

2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 22693430) has the molecular formula C17H14ClF3N4O and a molecular weight of 382.77 g/mol. Its IUPAC name is 2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
PubChem CID22693430
Molecular FormulaC17H14ClF3N4O
Molecular Weight382.77 g/mol
Exact Mass382.08
IUPAC Name2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1ncc2ccc(N)cc21
InChIInChI=1S/C17H14ClF3N4O/c1-9(25-15-7-12(22)4-2-10(15)8-23-25)16(26)24-14-6-11(17(19,20)21)3-5-13(14)18/h2-9H,22H2,1H3,(H,24,26)
InChIKeyQUGDCOPTBKSFPX-UHFFFAOYSA-N
XLogP4.49
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2396545
2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 24690259
4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80542425
2-(5-chloroindol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 84571219
(2S)-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 135552329
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(1R,2S,6S,7R,8R,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]propanamide
CID 124715880
2-(aminomethyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 65225734
(2R)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 2198317
(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 7760114
ethyl 1-[(2R)-1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8772806
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(5-nitro-2-oxo-1-pyridinyl)propanamide
CID 78487298
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135552331

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide (CID 22693430) is 2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide is CC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)n1ncc2ccc(N)cc21.
What is the InChIKey of 2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is QUGDCOPTBKSFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O/c1-9(25-15-7-12(22)4-2-10(15)8-23-25)16(26)24-14-6-11(17(19,20)21)3-5-13(14)18/h2-9H,22H2,1H3,(H,24,26).
What are the key properties of 2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide?
2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 382.77 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminoindazol-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 22693430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).