2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide

C18H13ClN2O2 — CID 135782033

IUPAC2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc2ccccc2c1O)c1ccccc1Cl
InChIInChI=1S/C18H13ClN2O2/c19-16-8-4-3-7-15(16)18(23)21-20-11-13-10-9-12-5-1-2-6-14(12)17(13)22/h1-11,22H,(H,21,23)/b20-11-
InChIKeyCTPATXUIFFZZEL-JAIQZWGSSA-N
MW324.77 g/mol
LogP3.96
Rot. Bonds3

About 2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide

2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide (PubChem CID 135782033) has the molecular formula C18H13ClN2O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
PubChem CID135782033
Molecular FormulaC18H13ClN2O2
Molecular Weight324.77 g/mol
Exact Mass324.07
IUPAC Name2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc2ccccc2c1O)c1ccccc1Cl
InChIInChI=1S/C18H13ClN2O2/c19-16-8-4-3-7-15(16)18(23)21-20-11-13-10-9-12-5-1-2-6-14(12)17(13)22/h1-11,22H,(H,21,23)/b20-11-
InChIKeyCTPATXUIFFZZEL-JAIQZWGSSA-N
XLogP3.96
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 136750620
N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide
CID 136670478
2-N,5-N-bis[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 135837519
2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 4670148
4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4293070
3,4,5-trihydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4626466
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 6019936
N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide
CID 4547663
N-[(3,4-dichloro-2-hydroxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 137095074
N-(benzylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 4115727
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5396822

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide (CID 135782033) is 2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide is O=C(N/N=C\c1ccc2ccccc2c1O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide?
The InChIKey is CTPATXUIFFZZEL-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H13ClN2O2/c19-16-8-4-3-7-15(16)18(23)21-20-11-13-10-9-12-5-1-2-6-14(12)17(13)22/h1-11,22H,(H,21,23)/b20-11-.
What are the key properties of 2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide?
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide has a molecular weight of 324.77 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 135782033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).