N-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide

C16H15N3O2 — CID 168655042

IUPACN-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide
SMILESCN(O)C(=O)c1ccc(Cn2ncc3ccccc32)cc1
InChIInChI=1S/C16H15N3O2/c1-18(21)16(20)13-8-6-12(7-9-13)11-19-15-5-3-2-4-14(15)10-17-19/h2-10,21H,11H2,1H3
InChIKeyYOUPVVNIUJCQTC-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.55
Rot. Bonds3

About N-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide

N-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide (PubChem CID 168655042) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide
PubChem CID168655042
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide
SMILESCN(O)C(=O)c1ccc(Cn2ncc3ccccc32)cc1
InChIInChI=1S/C16H15N3O2/c1-18(21)16(20)13-8-6-12(7-9-13)11-19-15-5-3-2-4-14(15)10-17-19/h2-10,21H,11H2,1H3
InChIKeyYOUPVVNIUJCQTC-UHFFFAOYSA-N
XLogP2.55
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide
CID 69251373
N-[[4-(indazol-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62449389
1-[(4-phenylphenyl)methyl]indazole-5-carboxylic acid
CID 169187967
2-[(2-indazol-1-ylacetyl)-methylamino]acetic acid
CID 119172025
3-chloro-4-(indazol-1-ylmethyl)benzoic acid
CID 102670055
1-(naphthalen-2-ylmethyl)indazole-5-carboxylic acid
CID 169188030
2-[4-(indazol-1-ylmethyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 163699896
2-indazol-1-yl-1-(4-propan-2-ylphenyl)ethanone
CID 62140199
6-(indazol-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 66717199
5-(indazol-1-ylmethyl)furan-2-carbohydrazide
CID 63578154
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
4-(2-indazol-1-ylacetyl)benzonitrile
CID 62141504

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide?
The IUPAC name of N-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide (CID 168655042) is N-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for N-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide?
The canonical SMILES for N-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide is CN(O)C(=O)c1ccc(Cn2ncc3ccccc32)cc1.
What is the InChIKey of N-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide?
The InChIKey is YOUPVVNIUJCQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-18(21)16(20)13-8-6-12(7-9-13)11-19-15-5-3-2-4-14(15)10-17-19/h2-10,21H,11H2,1H3.
What are the key properties of N-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide?
N-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide has a molecular weight of 281.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(indazol-1-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 168655042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).