2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide

C18H12Cl2N2O — CID 5070346

IUPAC2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1cccc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H12Cl2N2O/c19-14-8-9-16(17(20)10-14)18(23)22-21-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H,(H,22,23)
InChIKeyGRAWKJSIUWDAIV-UHFFFAOYSA-N
MW343.21 g/mol
LogP4.91
Rot. Bonds3

About 2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide

2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide (PubChem CID 5070346) has the molecular formula C18H12Cl2N2O and a molecular weight of 343.21 g/mol. Its IUPAC name is 2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide
PubChem CID5070346
Molecular FormulaC18H12Cl2N2O
Molecular Weight343.21 g/mol
Exact Mass342.03
IUPAC Name2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide
SMILESO=C(NN=Cc1cccc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H12Cl2N2O/c19-14-8-9-16(17(20)10-14)18(23)22-21-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H,(H,22,23)
InChIKeyGRAWKJSIUWDAIV-UHFFFAOYSA-N
XLogP4.91
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
2-chloro-N-[(E)-naphthalen-1-ylmethylideneamino]-4-nitrobenzamide
CID 5334573
2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136663043
2,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5403738
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide
CID 774246
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
2,5-dihydroxy-N-[(E)-naphthalen-1-ylmethylideneamino]benzamide
CID 17126515
[1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6305314
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6036868
2,4-dichloro-N-[(E)-[2-[(3-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110339606

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide?
The IUPAC name of 2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide (CID 5070346) is 2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide?
The canonical SMILES for 2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide is O=C(NN=Cc1cccc2ccccc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide?
The InChIKey is GRAWKJSIUWDAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N2O/c19-14-8-9-16(17(20)10-14)18(23)22-21-11-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H,(H,22,23).
What are the key properties of 2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide?
2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide has a molecular weight of 343.21 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide is sourced from PubChem (CID 5070346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).