N-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide

C18H20ClN3O — CID 3089265

IUPACN-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide
SMILESCc1cccc(C)c1NC(C)C(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O/c1-12-5-4-6-13(2)17(12)21-14(3)18(23)22-20-11-15-7-9-16(19)10-8-15/h4-11,14,21H,1-3H3,(H,22,23)
InChIKeyRPMBSRFTQFBJPG-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.91
Rot. Bonds5

About N-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide

N-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide (PubChem CID 3089265) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide
PubChem CID3089265
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide
SMILESCc1cccc(C)c1NC(C)C(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O/c1-12-5-4-6-13(2)17(12)21-14(3)18(23)22-20-11-15-7-9-16(19)10-8-15/h4-11,14,21H,1-3H3,(H,22,23)
InChIKeyRPMBSRFTQFBJPG-UHFFFAOYSA-N
XLogP3.91
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.91
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

(2R)-2-(2,6-dimethylanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135850815
2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 71960153
(2S)-2-(2,6-dimethylanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]propanamide
CID 5410900
2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 5081987
1-[(Z)-(4-chlorophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 5420635
2-(3-chloroanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135719968
(2S)-N-[(4-chlorophenyl)methylideneamino]-2-(3-methylphenoxy)propanamide
CID 727867
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
(2S)-2-(4-chloroanilino)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]propanamide
CID 5403140
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methylideneamino]propanamide
CID 903054
2-(4-chloroanilino)-N-[(5-methylfuran-2-yl)methylideneamino]propanamide
CID 2863483
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide
CID 5392914

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide (CID 3089265) is N-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide is Cc1cccc(C)c1NC(C)C(=O)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide?
The InChIKey is RPMBSRFTQFBJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-12-5-4-6-13(2)17(12)21-14(3)18(23)22-20-11-15-7-9-16(19)10-8-15/h4-11,14,21H,1-3H3,(H,22,23).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide?
N-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide has a molecular weight of 329.83 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-2-(2,6-dimethylanilino)propanamide is sourced from PubChem (CID 3089265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).