N-[(Z)-benzylideneamino]-3-chlorobenzamide

C14H11ClN2O — CID 5409510

IUPACN-[(Z)-benzylideneamino]-3-chlorobenzamide
SMILESO=C(N/N=C\c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C14H11ClN2O/c15-13-8-4-7-12(9-13)14(18)17-16-10-11-5-2-1-3-6-11/h1-10H,(H,17,18)/b16-10-
InChIKeyZIPFABKHIXMJBE-YBEGLDIGSA-N
MW258.71 g/mol
LogP3.10
Rot. Bonds3

About N-[(Z)-benzylideneamino]-3-chlorobenzamide

N-[(Z)-benzylideneamino]-3-chlorobenzamide (PubChem CID 5409510) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-3-chlorobenzamide
PubChem CID5409510
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC NameN-[(Z)-benzylideneamino]-3-chlorobenzamide
SMILESO=C(N/N=C\c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C14H11ClN2O/c15-13-8-4-7-12(9-13)14(18)17-16-10-11-5-2-1-3-6-11/h1-10H,(H,17,18)/b16-10-
InChIKeyZIPFABKHIXMJBE-YBEGLDIGSA-N
XLogP3.10
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.10
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

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-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 5332427
3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 774312
N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5456482
3-chloro-N-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 94847752
3-benzamido-N-[(E)-benzylideneamino]benzamide
CID 56690708
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-3-chlorobenzamide?
The IUPAC name of N-[(Z)-benzylideneamino]-3-chlorobenzamide (CID 5409510) is N-[(Z)-benzylideneamino]-3-chlorobenzamide.
What is the SMILES notation for N-[(Z)-benzylideneamino]-3-chlorobenzamide?
The canonical SMILES for N-[(Z)-benzylideneamino]-3-chlorobenzamide is O=C(N/N=C\c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(Z)-benzylideneamino]-3-chlorobenzamide?
The InChIKey is ZIPFABKHIXMJBE-YBEGLDIGSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-13-8-4-7-12(9-13)14(18)17-16-10-11-5-2-1-3-6-11/h1-10H,(H,17,18)/b16-10-.
What are the key properties of N-[(Z)-benzylideneamino]-3-chlorobenzamide?
N-[(Z)-benzylideneamino]-3-chlorobenzamide has a molecular weight of 258.71 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-3-chlorobenzamide is sourced from PubChem (CID 5409510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).