2,3-dichloro-2-methyl-N-phenylpentanamide

C12H15Cl2NO — CID 154355250

IUPAC2,3-dichloro-2-methyl-N-phenylpentanamide
SMILESCCC(Cl)C(C)(Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C12H15Cl2NO/c1-3-10(13)12(2,14)11(16)15-9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,15,16)
InChIKeySBZUNFFNQAKLSN-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.64
Rot. Bonds4

About 2,3-dichloro-2-methyl-N-phenylpentanamide

2,3-dichloro-2-methyl-N-phenylpentanamide (PubChem CID 154355250) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 2,3-dichloro-2-methyl-N-phenylpentanamide.

Molecular Properties

Compound Name2,3-dichloro-2-methyl-N-phenylpentanamide
PubChem CID154355250
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name2,3-dichloro-2-methyl-N-phenylpentanamide
SMILESCCC(Cl)C(C)(Cl)C(=O)Nc1ccccc1
InChIInChI=1S/C12H15Cl2NO/c1-3-10(13)12(2,14)11(16)15-9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,15,16)
InChIKeySBZUNFFNQAKLSN-UHFFFAOYSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N,N'-diphenylpropanediamide
CID 14712481
2-fluoro-2-methyl-N-phenylbutanamide
CID 132540278
2-chloro-2-methoxy-N-phenylbutanamide
CID 21464678
3-methoxy-2,2-dimethyl-N-phenylpropanamide
CID 70245295
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethyl-1-N,3-N,5-N,7-N,9-N,11-N,13-N,15-N,17-N,19-N,21-N,23-N,25-N,27-N,29-N-pentadecakis-phenyltriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxamide
CID 88975553
5-anilino-4,4-dimethyl-5-oxopentanoic acid
CID 826118
ethyl 2-methyl-2-(phenylcarbamoyl)butanoate
CID 142008434
2-methyl-N-phenyl-2-trimethylsilylheptanamide
CID 10334484
2,6-dimethyloctane;2,2-dimethyl-N-phenylbutanamide
CID 174845109
(2R)-2-chloro-2-methyl-N-phenyl-3-phenylsulfanylpropanamide
CID 40544089
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029
2,2-dichloro-4-hydroxy-N-phenylbutanamide
CID 23345439

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-2-methyl-N-phenylpentanamide?
The IUPAC name of 2,3-dichloro-2-methyl-N-phenylpentanamide (CID 154355250) is 2,3-dichloro-2-methyl-N-phenylpentanamide.
What is the SMILES notation for 2,3-dichloro-2-methyl-N-phenylpentanamide?
The canonical SMILES for 2,3-dichloro-2-methyl-N-phenylpentanamide is CCC(Cl)C(C)(Cl)C(=O)Nc1ccccc1.
What is the InChIKey of 2,3-dichloro-2-methyl-N-phenylpentanamide?
The InChIKey is SBZUNFFNQAKLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-3-10(13)12(2,14)11(16)15-9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3,(H,15,16).
What are the key properties of 2,3-dichloro-2-methyl-N-phenylpentanamide?
2,3-dichloro-2-methyl-N-phenylpentanamide has a molecular weight of 260.16 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-2-methyl-N-phenylpentanamide is sourced from PubChem (CID 154355250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).