3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide

C18H13ClN2O — CID 5332427

IUPAC3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc2ccccc2c1)c1cccc(Cl)c1
InChIInChI=1S/C18H13ClN2O/c19-17-7-3-6-16(11-17)18(22)21-20-12-13-8-9-14-4-1-2-5-15(14)10-13/h1-12H,(H,21,22)/b20-12+
InChIKeyYGZRFUYCEZITSZ-UDWIEESQSA-N
MW308.77 g/mol
LogP4.26
Rot. Bonds3

About 3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide

3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide (PubChem CID 5332427) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is 3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
PubChem CID5332427
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc2ccccc2c1)c1cccc(Cl)c1
InChIInChI=1S/C18H13ClN2O/c19-17-7-3-6-16(11-17)18(22)21-20-12-13-8-9-14-4-1-2-5-15(14)10-13/h1-12H,(H,21,22)/b20-12+
InChIKeyYGZRFUYCEZITSZ-UDWIEESQSA-N
XLogP4.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 54.26
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

N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
CID 5407114
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 94847748
4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9174979
3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5456482
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 774312
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide
CID 693438
3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
CID 9359854
3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 94847752

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide (CID 5332427) is 3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccc2ccccc2c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide?
The InChIKey is YGZRFUYCEZITSZ-UDWIEESQSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-17-7-3-6-16(11-17)18(22)21-20-12-13-8-9-14-4-1-2-5-15(14)10-13/h1-12H,(H,21,22)/b20-12+.
What are the key properties of 3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide?
3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide has a molecular weight of 308.77 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 5332427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).