N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide

C19H20ClN3O — CID 6620038

IUPACN-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C19H20ClN3O/c1-3-13(2)21-18(24)12-23-17-10-9-15(20)11-16(17)19(22-23)14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,21,24)
InChIKeyTXEOYRRYUQRREO-UHFFFAOYSA-N
MW341.84 g/mol
LogP4.27
Rot. Bonds5

About N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide

N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide (PubChem CID 6620038) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide
PubChem CID6620038
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC NameN-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide
SMILESCCC(C)NC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C19H20ClN3O/c1-3-13(2)21-18(24)12-23-17-10-9-15(20)11-16(17)19(22-23)14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,21,24)
InChIKeyTXEOYRRYUQRREO-UHFFFAOYSA-N
XLogP4.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-3-phenylindazol-1-yl)-N-(3-methylbutyl)acetamide
CID 20877329
2-(5-chloro-3-phenylindazol-1-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 20877332
N-(4-bromo-3-methylphenyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 20877339
2-(5-chloro-3-phenylindazol-1-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]acetamide
CID 20877371
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-chloro-3-phenylindazol-1-yl)acetamide
CID 20877316
ethyl 4-[4-(5-chloro-3-phenylindazol-1-yl)butanoylamino]piperidine-1-carboxylate
CID 46259697
2-(5-chloro-3-phenylindazol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 20877389
4-(5-chloro-3-phenylindazol-1-yl)-N-cycloheptylbutanamide
CID 20877509
2-(5-chloro-3-phenylindazol-1-yl)-N,N-dimethylethanamine
CID 12819465
2-(5-chloro-3-phenylindazol-1-yl)-N-(2,3-dimethylphenyl)propanamide
CID 20877405
N-[(2S)-butan-2-yl]-2-[3-(3-chlorophenyl)-5-oxo-1-sulfanylidene-[1,3]thiazolo[3,4-a]quinazolin-4-yl]acetamide
CID 92727184
2-(5-chloro-3-phenylindazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 20877476

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide (CID 6620038) is N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide is CCC(C)NC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide?
The InChIKey is TXEOYRRYUQRREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-3-13(2)21-18(24)12-23-17-10-9-15(20)11-16(17)19(22-23)14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,21,24).
What are the key properties of N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide?
N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide has a molecular weight of 341.84 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(5-chloro-3-phenylindazol-1-yl)acetamide is sourced from PubChem (CID 6620038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).