N-hydroxy-2-[3-(1H-indol-5-ylmethylamino)phenyl]-2-phenylacetamide

C23H21N3O2 — CID 87443775

IUPACN-hydroxy-2-[3-(1H-indol-5-ylmethylamino)phenyl]-2-phenylacetamide
SMILESO=C(NO)C(c1ccccc1)c1cccc(NCc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C23H21N3O2/c27-23(26-28)22(17-5-2-1-3-6-17)19-7-4-8-20(14-19)25-15-16-9-10-21-18(13-16)11-12-24-21/h1-14,22,24-25,28H,15H2,(H,26,27)
InChIKeyLKZJBFWYOKFCRQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.42
Rot. Bonds6

About N-hydroxy-2-[3-(1H-indol-5-ylmethylamino)phenyl]-2-phenylacetamide

N-hydroxy-2-[3-(1H-indol-5-ylmethylamino)phenyl]-2-phenylacetamide (PubChem CID 87443775) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-hydroxy-2-[3-(1H-indol-5-ylmethylamino)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-(1H-indol-5-ylmethylamino)phenyl]-2-phenylacetamide
PubChem CID87443775
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-hydroxy-2-[3-(1H-indol-5-ylmethylamino)phenyl]-2-phenylacetamide
SMILESO=C(NO)C(c1ccccc1)c1cccc(NCc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C23H21N3O2/c27-23(26-28)22(17-5-2-1-3-6-17)19-7-4-8-20(14-19)25-15-16-9-10-21-18(13-16)11-12-24-21/h1-14,22,24-25,28H,15H2,(H,26,27)
InChIKeyLKZJBFWYOKFCRQ-UHFFFAOYSA-N
XLogP4.42
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-chloro-4-(1H-indol-5-ylmethylamino)phenol
CID 107678050
2-[4-[(4-chlorophenyl)methylamino]phenyl]-N-hydroxy-2-phenylacetamide
CID 25155891
4-bromo-3-chloro-N-(1H-indol-5-ylmethyl)aniline
CID 107619194
2-chloro-5-(1H-indol-5-ylmethylamino)benzamide
CID 102909673
N-(1H-indol-6-ylmethyl)aniline
CID 29012556
N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide
CID 135320195
4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide
CID 60985220
2-(1H-indol-5-ylmethylamino)-3-methylbenzoic acid
CID 69328762
N-(1H-indol-5-ylmethyl)-1-phenylpropan-1-amine
CID 102910676
N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
CID 17221817
4-fluoro-N-(1H-indol-5-ylmethyl)-3-methylaniline
CID 102910801
N-(1H-indol-5-ylmethyl)quinoxalin-6-amine
CID 102910076

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[3-(1H-indol-5-ylmethylamino)phenyl]-2-phenylacetamide?
The IUPAC name of N-hydroxy-2-[3-(1H-indol-5-ylmethylamino)phenyl]-2-phenylacetamide (CID 87443775) is N-hydroxy-2-[3-(1H-indol-5-ylmethylamino)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-hydroxy-2-[3-(1H-indol-5-ylmethylamino)phenyl]-2-phenylacetamide?
The canonical SMILES for N-hydroxy-2-[3-(1H-indol-5-ylmethylamino)phenyl]-2-phenylacetamide is O=C(NO)C(c1ccccc1)c1cccc(NCc2ccc3[nH]ccc3c2)c1.
What is the InChIKey of N-hydroxy-2-[3-(1H-indol-5-ylmethylamino)phenyl]-2-phenylacetamide?
The InChIKey is LKZJBFWYOKFCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-23(26-28)22(17-5-2-1-3-6-17)19-7-4-8-20(14-19)25-15-16-9-10-21-18(13-16)11-12-24-21/h1-14,22,24-25,28H,15H2,(H,26,27).
What are the key properties of N-hydroxy-2-[3-(1H-indol-5-ylmethylamino)phenyl]-2-phenylacetamide?
N-hydroxy-2-[3-(1H-indol-5-ylmethylamino)phenyl]-2-phenylacetamide has a molecular weight of 371.44 g/mol, XLogP of 4.42, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-(1H-indol-5-ylmethylamino)phenyl]-2-phenylacetamide is sourced from PubChem (CID 87443775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).