3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide

C16H16ClN3O — CID 774312

IUPAC3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(C=NNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClN3O/c1-20(2)15-8-6-12(7-9-15)11-18-19-16(21)13-4-3-5-14(17)10-13/h3-11H,1-2H3,(H,19,21)
InChIKeyJMKKLMIOCVZNRH-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.17
Rot. Bonds4

About 3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide

3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide (PubChem CID 774312) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
PubChem CID774312
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
SMILESCN(C)c1ccc(C=NNC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClN3O/c1-20(2)15-8-6-12(7-9-15)11-18-19-16(21)13-4-3-5-14(17)10-13/h3-11H,1-2H3,(H,19,21)
InChIKeyJMKKLMIOCVZNRH-UHFFFAOYSA-N
XLogP3.17
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
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

3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide
CID 76666429
4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9174979
2-chloro-N-[3-[[(E)-[4-(dimethylamino)phenyl]methylideneamino]carbamoyl]phenyl]benzamide
CID 46496158
2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide
CID 2776651
3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5456482
N-[[4-(dimethylamino)phenyl]methylideneamino]-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
CID 123854459
3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide
CID 122601010
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxy-3,5-di(125I)iodo(125I2)benzamide
CID 13443214
3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 5332427

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide (CID 774312) is 3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide is CN(C)c1ccc(C=NNC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide?
The InChIKey is JMKKLMIOCVZNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-20(2)15-8-6-12(7-9-15)11-18-19-16(21)13-4-3-5-14(17)10-13/h3-11H,1-2H3,(H,19,21).
What are the key properties of 3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide?
3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide has a molecular weight of 301.78 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 774312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).