4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide

C16H14ClN3O2 — CID 5427466

IUPAC4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C\c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H14ClN3O2/c1-11(21)19-15-7-5-13(6-8-15)16(22)20-18-10-12-3-2-4-14(17)9-12/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10-
InChIKeyXSTVIXLPIMCQKW-ZDLGFXPLSA-N
MW315.76 g/mol
LogP3.06
Rot. Bonds4

About 4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide

4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide (PubChem CID 5427466) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
PubChem CID5427466
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C\c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H14ClN3O2/c1-11(21)19-15-7-5-13(6-8-15)16(22)20-18-10-12-3-2-4-14(17)9-12/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10-
InChIKeyXSTVIXLPIMCQKW-ZDLGFXPLSA-N
XLogP3.06
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[4-[[(3-chlorophenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 3376596
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
CID 2691882
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide
CID 76666429
N-[(3-chlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693736
N-[(Z)-(3-chlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 5370945
N-[(E)-(3-chlorophenyl)methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 51060542
N-[(E)-(3-chlorophenyl)methylideneamino]-4-hydroxy-3-methoxybenzamide
CID 71537752
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
4-acetamido-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6134944
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide?
The IUPAC name of 4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide (CID 5427466) is 4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide?
The canonical SMILES for 4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide is CC(=O)Nc1ccc(C(=O)N/N=C\c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide?
The InChIKey is XSTVIXLPIMCQKW-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-11(21)19-15-7-5-13(6-8-15)16(22)20-18-10-12-3-2-4-14(17)9-12/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10-.
What are the key properties of 4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide?
4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide has a molecular weight of 315.76 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide is sourced from PubChem (CID 5427466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).