6-[amino-(hydroxyamino)methyl]-N-phenylnaphthalene-2-carboxamide

C18H17N3O2 — CID 21186382

IUPAC6-[amino-(hydroxyamino)methyl]-N-phenylnaphthalene-2-carboxamide
SMILESNC(NO)c1ccc2cc(C(=O)Nc3ccccc3)ccc2c1
InChIInChI=1S/C18H17N3O2/c19-17(21-23)14-8-6-13-11-15(9-7-12(13)10-14)18(22)20-16-4-2-1-3-5-16/h1-11,17,21,23H,19H2,(H,20,22)
InChIKeyYQEKCMVDNNBTGZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.03
Rot. Bonds4

About 6-[amino-(hydroxyamino)methyl]-N-phenylnaphthalene-2-carboxamide

6-[amino-(hydroxyamino)methyl]-N-phenylnaphthalene-2-carboxamide (PubChem CID 21186382) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-[amino-(hydroxyamino)methyl]-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name6-[amino-(hydroxyamino)methyl]-N-phenylnaphthalene-2-carboxamide
PubChem CID21186382
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name6-[amino-(hydroxyamino)methyl]-N-phenylnaphthalene-2-carboxamide
SMILESNC(NO)c1ccc2cc(C(=O)Nc3ccccc3)ccc2c1
InChIInChI=1S/C18H17N3O2/c19-17(21-23)14-8-6-13-11-15(9-7-12(13)10-14)18(22)20-16-4-2-1-3-5-16/h1-11,17,21,23H,19H2,(H,20,22)
InChIKeyYQEKCMVDNNBTGZ-UHFFFAOYSA-N
XLogP3.03
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-phenylnaphthalene-2,6-dicarboxamide
CID 57399617
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-(3-acetylphenyl)naphthalene-2-carboxamide
CID 2274462
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
N-[6-[4-(phenylcarbamoyl)phenyl]-3-pyridinyl]naphthalene-2-carboxamide
CID 170421570
2-N,6-N-bis[4-(4-aminoanilino)phenyl]naphthalene-2,6-dicarboxamide
CID 141400871
N-(4-formylphenyl)naphthalene-2-carboxamide
CID 87842384
N-(4-carbamimidoylphenyl)naphthalene-2-carboxamide
CID 151305092
N-phenyl-4-[(E)-3-[4-(phenylcarbamoyl)phenyl]but-2-en-2-yl]benzamide
CID 118602038
4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide
CID 15982114
N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide
CID 33026876

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(hydroxyamino)methyl]-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 6-[amino-(hydroxyamino)methyl]-N-phenylnaphthalene-2-carboxamide (CID 21186382) is 6-[amino-(hydroxyamino)methyl]-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 6-[amino-(hydroxyamino)methyl]-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 6-[amino-(hydroxyamino)methyl]-N-phenylnaphthalene-2-carboxamide is NC(NO)c1ccc2cc(C(=O)Nc3ccccc3)ccc2c1.
What is the InChIKey of 6-[amino-(hydroxyamino)methyl]-N-phenylnaphthalene-2-carboxamide?
The InChIKey is YQEKCMVDNNBTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-17(21-23)14-8-6-13-11-15(9-7-12(13)10-14)18(22)20-16-4-2-1-3-5-16/h1-11,17,21,23H,19H2,(H,20,22).
What are the key properties of 6-[amino-(hydroxyamino)methyl]-N-phenylnaphthalene-2-carboxamide?
6-[amino-(hydroxyamino)methyl]-N-phenylnaphthalene-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(hydroxyamino)methyl]-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 21186382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).