N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide

C16H14ClN3O2 — CID 2691882

IUPACN-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
SMILESCC(=O)Nc1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClN3O2/c1-11(21)19-15-8-2-12(3-9-15)10-18-20-16(22)13-4-6-14(17)7-5-13/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeySHKVFAJLDPSUNS-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.06
Rot. Bonds4

About N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide

N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide (PubChem CID 2691882) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
PubChem CID2691882
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC NameN-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide
SMILESCC(=O)Nc1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClN3O2/c1-11(21)19-15-8-2-12(3-9-15)10-18-20-16(22)13-4-6-14(17)7-5-13/h2-10H,1H3,(H,19,21)(H,20,22)
InChIKeySHKVFAJLDPSUNS-UHFFFAOYSA-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

4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
4-acetamido-N-[(Z)-(3-chlorophenyl)methylideneamino]benzamide
CID 5427466
N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 4105739
4-acetamido-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
CID 5417686
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
4-acetamido-N-[(E)-(4-phenyldiazenylphenyl)methylideneamino]benzamide
CID 170647561
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
[4-[(E)-[[2-(4-acetamidoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 19659684
4-chloro-N-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 96886328
[2-[(E)-[(4-acetamidobenzoyl)hydrazinylidene]methyl]-4-chlorophenyl] 4-chlorobenzoate
CID 126226465

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide?
The IUPAC name of N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide (CID 2691882) is N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide?
The canonical SMILES for N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide is CC(=O)Nc1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide?
The InChIKey is SHKVFAJLDPSUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c1-11(21)19-15-8-2-12(3-9-15)10-18-20-16(22)13-4-6-14(17)7-5-13/h2-10H,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide?
N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide 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 N-[(4-acetamidophenyl)methylideneamino]-4-chlorobenzamide is sourced from PubChem (CID 2691882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).