3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

C20H25ClN2O — CID 109021544

IUPAC3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CCNCc1ccccc1Cl
InChIInChI=1S/C20H25ClN2O/c1-14(2)17-9-6-7-15(3)20(17)23-19(24)11-12-22-13-16-8-4-5-10-18(16)21/h4-10,14,22H,11-13H2,1-3H3,(H,23,24)
InChIKeySIHXMIRMBORYRY-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.89
Rot. Bonds7

About 3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide

3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (PubChem CID 109021544) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
PubChem CID109021544
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CCNCc1ccccc1Cl
InChIInChI=1S/C20H25ClN2O/c1-14(2)17-9-6-7-15(3)20(17)23-19(24)11-12-22-13-16-8-4-5-10-18(16)21/h4-10,14,22H,11-13H2,1-3H3,(H,23,24)
InChIKeySIHXMIRMBORYRY-UHFFFAOYSA-N
XLogP4.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-methylphenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 109019326
3-[(2-chlorophenyl)methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 109021615
3-[(2-chlorophenyl)methylamino]-N-(2,6-diethylphenyl)propanamide
CID 109021543
N-(2,6-dimethylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019316
N-(2-methyl-6-propan-2-ylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024299
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
2-(2-chlorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2338112
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
2-(2-chlorophenoxy)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 727454
2-(4-chlorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2165744
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177
3-[(2-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)propanamide
CID 109021533

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide (CID 109021544) is 3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is Cc1cccc(C(C)C)c1NC(=O)CCNCc1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
The InChIKey is SIHXMIRMBORYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-14(2)17-9-6-7-15(3)20(17)23-19(24)11-12-22-13-16-8-4-5-10-18(16)21/h4-10,14,22H,11-13H2,1-3H3,(H,23,24).
What are the key properties of 3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide?
3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide has a molecular weight of 344.89 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109021544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).