N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide

C17H25ClN2O2 — CID 108962686

IUPACN-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide
SMILESCCCCCNC(=O)C(C)(C)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H25ClN2O2/c1-4-5-8-11-19-15(21)17(2,3)16(22)20-12-13-9-6-7-10-14(13)18/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyFQPDCJVEUQQXIT-UHFFFAOYSA-N
MW324.85 g/mol
LogP3.29
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide

N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide (PubChem CID 108962686) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide
PubChem CID108962686
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide
SMILESCCCCCNC(=O)C(C)(C)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C17H25ClN2O2/c1-4-5-8-11-19-15(21)17(2,3)16(22)20-12-13-9-6-7-10-14(13)18/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyFQPDCJVEUQQXIT-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959459
N-butyl-N'-[(2-chlorophenyl)methyl]-N,2,2-trimethylpropanediamide
CID 108962687
4-N-[(2-chlorophenyl)methyl]-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109148482
2-[(2-chlorophenyl)methylamino]-N-pentylpropanamide
CID 43112541
N-[(2-chlorophenyl)methyl]-N'-[(4-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962520
2-amino-N-[(2-chlorophenyl)methyl]-2-methylbutanamide
CID 79796852
N-(3-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962718
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460
N-[(2-chlorophenyl)methyl]-N'-(2,6-difluorophenyl)-2,2-dimethylpropanediamide
CID 108962767
2-[(2-chlorophenyl)methylamino]-N-pentylpyrimidine-5-carboxamide
CID 109257503
N-[(2-chlorophenyl)methyl]-2-(dimethylamino)-2-methylpropanamide
CID 71847666
N-(2,5-dichlorophenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966461

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide (CID 108962686) is N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide is CCCCCNC(=O)C(C)(C)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide?
The InChIKey is FQPDCJVEUQQXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-4-5-8-11-19-15(21)17(2,3)16(22)20-12-13-9-6-7-10-14(13)18/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide?
N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide has a molecular weight of 324.85 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2,2-dimethyl-N'-pentylpropanediamide is sourced from PubChem (CID 108962686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).