N-[2-[5-[(2,6-dichlorophenyl)methoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide

C23H17Cl2N3O2 — CID 177371358

IUPACN-[2-[5-[(2,6-dichlorophenyl)methoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1-c1n[nH]c2ccc(OCc3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C23H17Cl2N3O2/c1-2-22(29)26-20-9-4-3-6-15(20)23-16-12-14(10-11-21(16)27-28-23)30-13-17-18(24)7-5-8-19(17)25/h2-12H,1,13H2,(H,26,29)(H,27,28)
InChIKeyIDCXCYYQCDJREL-UHFFFAOYSA-N
MW438.31 g/mol
LogP6.24
Rot. Bonds6

About N-[2-[5-[(2,6-dichlorophenyl)methoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide

N-[2-[5-[(2,6-dichlorophenyl)methoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide (PubChem CID 177371358) has the molecular formula C23H17Cl2N3O2 and a molecular weight of 438.31 g/mol. Its IUPAC name is N-[2-[5-[(2,6-dichlorophenyl)methoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[5-[(2,6-dichlorophenyl)methoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide
PubChem CID177371358
Molecular FormulaC23H17Cl2N3O2
Molecular Weight438.31 g/mol
Exact Mass437.07
IUPAC NameN-[2-[5-[(2,6-dichlorophenyl)methoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1-c1n[nH]c2ccc(OCc3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C23H17Cl2N3O2/c1-2-22(29)26-20-9-4-3-6-15(20)23-16-12-14(10-11-21(16)27-28-23)30-13-17-18(24)7-5-8-19(17)25/h2-12H,1,13H2,(H,26,29)(H,27,28)
InChIKeyIDCXCYYQCDJREL-UHFFFAOYSA-N
XLogP6.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.31
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide
CID 86301622
N-[5-[(2-chlorophenyl)methoxy]-1H-indazol-3-yl]-2-fluorobenzamide
CID 86219883
N-[2-[[5-(2-chlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]prop-2-enamide
CID 134369139
N-(1H-indazol-3-yl)prop-2-enamide
CID 62686025
N-(3-chloro-2-pyrazol-1-ylphenyl)prop-2-enamide
CID 54867440
2-[4-[(E)-2-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
CID 155076981
N-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetamide
CID 7640056
N-[2-[5-[(2-methylsulfonylphenyl)sulfonylamino]-1H-indazol-3-yl]phenyl]acetamide
CID 161073993
N-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
CID 154800116
2-chloro-6-(prop-2-enoylamino)benzoic acid
CID 63723930
3-(benzenesulfinyl)-6-[(2,6-dichlorophenyl)methoxy]-1H-indole-2-carboxylic acid
CID 18400161
N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1022163

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(2,6-dichlorophenyl)methoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[5-[(2,6-dichlorophenyl)methoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide (CID 177371358) is N-[2-[5-[(2,6-dichlorophenyl)methoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[5-[(2,6-dichlorophenyl)methoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[5-[(2,6-dichlorophenyl)methoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1-c1n[nH]c2ccc(OCc3c(Cl)cccc3Cl)cc12.
What is the InChIKey of N-[2-[5-[(2,6-dichlorophenyl)methoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide?
The InChIKey is IDCXCYYQCDJREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O2/c1-2-22(29)26-20-9-4-3-6-15(20)23-16-12-14(10-11-21(16)27-28-23)30-13-17-18(24)7-5-8-19(17)25/h2-12H,1,13H2,(H,26,29)(H,27,28).
What are the key properties of N-[2-[5-[(2,6-dichlorophenyl)methoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide?
N-[2-[5-[(2,6-dichlorophenyl)methoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide has a molecular weight of 438.31 g/mol, XLogP of 6.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(2,6-dichlorophenyl)methoxy]-1H-indazol-3-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 177371358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).