N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide

C17H17ClN2O — CID 3705620

IUPACN-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NN=Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O/c1-12(2)13-7-9-14(10-8-13)17(21)20-19-11-15-5-3-4-6-16(15)18/h3-12H,1-2H3,(H,20,21)
InChIKeyCPXCIGVRZNZPEM-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.23
Rot. Bonds4

About N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide

N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide (PubChem CID 3705620) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
PubChem CID3705620
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NN=Cc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O/c1-12(2)13-7-9-14(10-8-13)17(21)20-19-11-15-5-3-4-6-16(15)18/h3-12H,1-2H3,(H,20,21)
InChIKeyCPXCIGVRZNZPEM-UHFFFAOYSA-N
XLogP4.23
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.23
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-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 6874265
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215445
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 6172930
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
N-[(E)-(2-chlorophenyl)methylideneamino]-4-methylsulfonylbenzamide
CID 155806357
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
N-[(E)-(2-chlorophenyl)methylideneamino]-4-nitrobenzamide
CID 7290572
4-chloro-N-[1-[2-[(2-chlorophenyl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 3367370
3-bromo-N-[(2-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 5196692
N-[(2-chlorophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920979
4-(benzenesulfonamido)-N-[(Z)-(2-chlorophenyl)methylideneamino]benzamide
CID 6114827
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-4-methylbenzamide
CID 5333191

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide (CID 3705620) is N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NN=Cc2ccccc2Cl)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide?
The InChIKey is CPXCIGVRZNZPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-12(2)13-7-9-14(10-8-13)17(21)20-19-11-15-5-3-4-6-16(15)18/h3-12H,1-2H3,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide?
N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide has a molecular weight of 300.79 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide is sourced from PubChem (CID 3705620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).