N-(2-acetamidoethyl)-3-(5-hydroxyindazol-1-yl)benzamide

C18H18N4O3 — CID 70952747

IUPACN-(2-acetamidoethyl)-3-(5-hydroxyindazol-1-yl)benzamide
SMILESCC(=O)NCCNC(=O)c1cccc(-n2ncc3cc(O)ccc32)c1
InChIInChI=1S/C18H18N4O3/c1-12(23)19-7-8-20-18(25)13-3-2-4-15(9-13)22-17-6-5-16(24)10-14(17)11-21-22/h2-6,9-11,24H,7-8H2,1H3,(H,19,23)(H,20,25)
InChIKeyLBNJCVVYKSZNFK-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.60
Rot. Bonds5

About N-(2-acetamidoethyl)-3-(5-hydroxyindazol-1-yl)benzamide

N-(2-acetamidoethyl)-3-(5-hydroxyindazol-1-yl)benzamide (PubChem CID 70952747) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(5-hydroxyindazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(5-hydroxyindazol-1-yl)benzamide
PubChem CID70952747
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(2-acetamidoethyl)-3-(5-hydroxyindazol-1-yl)benzamide
SMILESCC(=O)NCCNC(=O)c1cccc(-n2ncc3cc(O)ccc32)c1
InChIInChI=1S/C18H18N4O3/c1-12(23)19-7-8-20-18(25)13-3-2-4-15(9-13)22-17-6-5-16(24)10-14(17)11-21-22/h2-6,9-11,24H,7-8H2,1H3,(H,19,23)(H,20,25)
InChIKeyLBNJCVVYKSZNFK-UHFFFAOYSA-N
XLogP1.60
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 117075307
N-(2-acetamidoethyl)-1-methylindazole-6-carboxamide
CID 110475586
N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide
CID 110356799
3-[5-(2-chloroanilino)indazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71602771
3-[5-[(1R,2S)-2-(2,2-difluoropropanoylamino)-1-phenylpropoxy]indazol-1-yl]-N-(2-hydroxyethyl)benzamide
CID 44544409
3-(5-iodoindazol-1-yl)benzoic acid
CID 57432097
N-(2-acetamidoethyl)-3-iodobenzamide
CID 7942065
N-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide
CID 117076700
N-(2-acetamidoethyl)-3-aminobenzamide;hydrochloride
CID 119684027
N-(1,1-dioxothiolan-3-yl)-3-(5-nitrosoindazol-1-yl)benzamide
CID 126707742
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55868220
N-[2-(methylamino)ethyl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119504361

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-(5-hydroxyindazol-1-yl)benzamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(5-hydroxyindazol-1-yl)benzamide (CID 70952747) is N-(2-acetamidoethyl)-3-(5-hydroxyindazol-1-yl)benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(5-hydroxyindazol-1-yl)benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(5-hydroxyindazol-1-yl)benzamide is CC(=O)NCCNC(=O)c1cccc(-n2ncc3cc(O)ccc32)c1.
What is the InChIKey of N-(2-acetamidoethyl)-3-(5-hydroxyindazol-1-yl)benzamide?
The InChIKey is LBNJCVVYKSZNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-12(23)19-7-8-20-18(25)13-3-2-4-15(9-13)22-17-6-5-16(24)10-14(17)11-21-22/h2-6,9-11,24H,7-8H2,1H3,(H,19,23)(H,20,25).
What are the key properties of N-(2-acetamidoethyl)-3-(5-hydroxyindazol-1-yl)benzamide?
N-(2-acetamidoethyl)-3-(5-hydroxyindazol-1-yl)benzamide has a molecular weight of 338.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(5-hydroxyindazol-1-yl)benzamide is sourced from PubChem (CID 70952747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).