2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide

C24H21ClN2O2 — CID 7970977

IUPAC2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)C(=Cc2ccccc2Cl)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C24H21ClN2O2/c1-16-7-11-19(12-8-16)26-23(28)21(15-18-5-3-4-6-22(18)25)24(29)27-20-13-9-17(2)10-14-20/h3-15H,1-2H3,(H,26,28)(H,27,29)
InChIKeyRQURLRIOAYHKCS-UHFFFAOYSA-N
MW404.90 g/mol
LogP5.62
Rot. Bonds5

About 2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide

2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide (PubChem CID 7970977) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide
PubChem CID7970977
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC Name2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)C(=Cc2ccccc2Cl)C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C24H21ClN2O2/c1-16-7-11-19(12-8-16)26-23(28)21(15-18-5-3-4-6-22(18)25)24(29)27-20-13-9-17(2)10-14-20/h3-15H,1-2H3,(H,26,28)(H,27,29)
InChIKeyRQURLRIOAYHKCS-UHFFFAOYSA-N
XLogP5.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(4-bromoanilino)-1-(2-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 4015471
(E)-3-(2-chlorophenyl)-N-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 1334364
2-[(2-chloro-3-pyridinyl)methylidene]-N,N'-diphenylpropanediamide
CID 87048269
3-(2-chlorophenyl)-N-[[(4-methylphenyl)carbamothioylamino]carbamothioyl]prop-2-enamide
CID 4509356
(2E)-2-[(2-chlorophenyl)methylidene]-3-oxo-N-pyridin-2-ylbutanamide
CID 8022996
2,6-dichloro-N-(4-methylphenyl)benzamide
CID 5152296
(2E)-N'-(2-bromo-5-methylphenyl)-2-[(2-chloro-3-pyridinyl)methylidene]-N-phenylpropanediamide
CID 87048280
(E)-3-(2-chlorophenyl)-N-[(S)-(4-methylphenyl)-phenylmethyl]-2-phenylprop-2-enamide
CID 38020071
2-(ethoxymethylidene)-N,N'-bis(4-methylphenyl)propanediamide
CID 7120921
N-[1-(2-chlorophenyl)-3-(4-fluoroanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 1223290
3-(2-chlorophenyl)-N-(2,5-dimethylphenyl)-2-phenylprop-2-enamide
CID 2915971
(2E)-2-[(2-chloro-3-pyridinyl)methylidene]-N'-(4-iodophenyl)-N-phenylpropanediamide
CID 87048275

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide?
The IUPAC name of 2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide (CID 7970977) is 2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide is Cc1ccc(NC(=O)C(=Cc2ccccc2Cl)C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide?
The InChIKey is RQURLRIOAYHKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-16-7-11-19(12-8-16)26-23(28)21(15-18-5-3-4-6-22(18)25)24(29)27-20-13-9-17(2)10-14-20/h3-15H,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide?
2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide has a molecular weight of 404.90 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylidene]-N,N'-bis(4-methylphenyl)propanediamide is sourced from PubChem (CID 7970977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).