2-[1-(2-chloro-4-fluorobenzoyl)indazol-3-yl]-N-methylpropanamide

C18H15ClFN3O2 — CID 174545821

IUPAC2-[1-(2-chloro-4-fluorobenzoyl)indazol-3-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)c1nn(C(=O)c2ccc(F)cc2Cl)c2ccccc12
InChIInChI=1S/C18H15ClFN3O2/c1-10(17(24)21-2)16-13-5-3-4-6-15(13)23(22-16)18(25)12-8-7-11(20)9-14(12)19/h3-10H,1-2H3,(H,21,24)
InChIKeyGGXCWRBHNGJZFB-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.37
Rot. Bonds3

About 2-[1-(2-chloro-4-fluorobenzoyl)indazol-3-yl]-N-methylpropanamide

2-[1-(2-chloro-4-fluorobenzoyl)indazol-3-yl]-N-methylpropanamide (PubChem CID 174545821) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is 2-[1-(2-chloro-4-fluorobenzoyl)indazol-3-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[1-(2-chloro-4-fluorobenzoyl)indazol-3-yl]-N-methylpropanamide
PubChem CID174545821
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name2-[1-(2-chloro-4-fluorobenzoyl)indazol-3-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)c1nn(C(=O)c2ccc(F)cc2Cl)c2ccccc12
InChIInChI=1S/C18H15ClFN3O2/c1-10(17(24)21-2)16-13-5-3-4-6-15(13)23(22-16)18(25)12-8-7-11(20)9-14(12)19/h3-10H,1-2H3,(H,21,24)
InChIKeyGGXCWRBHNGJZFB-UHFFFAOYSA-N
XLogP3.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide
CID 56680164
(2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591394
(2S)-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
CID 94413455
4-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
CID 91910199
(2S)-2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]propan-1-one
CID 119307814
1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide
CID 174545779
methyl 4-(2-chloro-4-fluorobenzoyl)benzoate
CID 175059139
2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide
CID 64997029
2-chloro-4-fluoro-N'-phenylbenzohydrazide
CID 78774979
2-(2-chloro-5-fluoroanilino)-N-methylpropanamide
CID 107528161
4-[1-(2-chloro-4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 43781065
(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338130

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-4-fluorobenzoyl)indazol-3-yl]-N-methylpropanamide?
The IUPAC name of 2-[1-(2-chloro-4-fluorobenzoyl)indazol-3-yl]-N-methylpropanamide (CID 174545821) is 2-[1-(2-chloro-4-fluorobenzoyl)indazol-3-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[1-(2-chloro-4-fluorobenzoyl)indazol-3-yl]-N-methylpropanamide?
The canonical SMILES for 2-[1-(2-chloro-4-fluorobenzoyl)indazol-3-yl]-N-methylpropanamide is CNC(=O)C(C)c1nn(C(=O)c2ccc(F)cc2Cl)c2ccccc12.
What is the InChIKey of 2-[1-(2-chloro-4-fluorobenzoyl)indazol-3-yl]-N-methylpropanamide?
The InChIKey is GGXCWRBHNGJZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-10(17(24)21-2)16-13-5-3-4-6-15(13)23(22-16)18(25)12-8-7-11(20)9-14(12)19/h3-10H,1-2H3,(H,21,24).
What are the key properties of 2-[1-(2-chloro-4-fluorobenzoyl)indazol-3-yl]-N-methylpropanamide?
2-[1-(2-chloro-4-fluorobenzoyl)indazol-3-yl]-N-methylpropanamide has a molecular weight of 359.79 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-4-fluorobenzoyl)indazol-3-yl]-N-methylpropanamide is sourced from PubChem (CID 174545821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).