2-benzyl-N-hydroxy-1H-indole-6-carboxamide

C16H14N2O2 — CID 87783085

IUPAC2-benzyl-N-hydroxy-1H-indole-6-carboxamide
SMILESO=C(NO)c1ccc2cc(Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C16H14N2O2/c19-16(18-20)13-7-6-12-9-14(17-15(12)10-13)8-11-4-2-1-3-5-11/h1-7,9-10,17,20H,8H2,(H,18,19)
InChIKeyVHTYCRVUNXFGTD-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.88
Rot. Bonds3

About 2-benzyl-N-hydroxy-1H-indole-6-carboxamide

2-benzyl-N-hydroxy-1H-indole-6-carboxamide (PubChem CID 87783085) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-benzyl-N-hydroxy-1H-indole-6-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-hydroxy-1H-indole-6-carboxamide
PubChem CID87783085
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-benzyl-N-hydroxy-1H-indole-6-carboxamide
SMILESO=C(NO)c1ccc2cc(Cc3ccccc3)[nH]c2c1
InChIInChI=1S/C16H14N2O2/c19-16(18-20)13-7-6-12-9-14(17-15(12)10-13)8-11-4-2-1-3-5-11/h1-7,9-10,17,20H,8H2,(H,18,19)
InChIKeyVHTYCRVUNXFGTD-UHFFFAOYSA-N
XLogP2.88
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

2-[(3-fluorophenyl)methyl]-N-hydroxy-1H-indole-6-carboxamide
CID 87720226
N-[(2-benzyl-1H-indol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-carboxamide
CID 76853916
N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 71815543
methyl 2-(5-benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxylate
CID 137048066
methyl 2-[4-(1H-indol-2-ylmethyl)phenyl]acetate
CID 70109234
2-benzyl-1H-pyrrolo[2,3-d]pyridazine
CID 135037367
3-(cyclodecapentaenylmethyl)-5-fluoro-N-hydroxybenzamide
CID 155598518
N-hydroxy-2-(2-phenylethyl)indazole-6-carboxamide
CID 169188075
2-bromo-3-chloro-N-hydroxy-1H-indole-6-carboxamide
CID 129283462
N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127
N-hydroxy-2-(2-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690172
N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
CID 122690256

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-hydroxy-1H-indole-6-carboxamide?
The IUPAC name of 2-benzyl-N-hydroxy-1H-indole-6-carboxamide (CID 87783085) is 2-benzyl-N-hydroxy-1H-indole-6-carboxamide.
What is the SMILES notation for 2-benzyl-N-hydroxy-1H-indole-6-carboxamide?
The canonical SMILES for 2-benzyl-N-hydroxy-1H-indole-6-carboxamide is O=C(NO)c1ccc2cc(Cc3ccccc3)[nH]c2c1.
What is the InChIKey of 2-benzyl-N-hydroxy-1H-indole-6-carboxamide?
The InChIKey is VHTYCRVUNXFGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16(18-20)13-7-6-12-9-14(17-15(12)10-13)8-11-4-2-1-3-5-11/h1-7,9-10,17,20H,8H2,(H,18,19).
What are the key properties of 2-benzyl-N-hydroxy-1H-indole-6-carboxamide?
2-benzyl-N-hydroxy-1H-indole-6-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-hydroxy-1H-indole-6-carboxamide is sourced from PubChem (CID 87783085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).