2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide

C13H18Cl2N2O — CID 54872585

IUPAC2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide
SMILESCCCC(N)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-3-4-12(16)13(18)17(2)8-9-5-10(14)7-11(15)6-9/h5-7,12H,3-4,8,16H2,1-2H3
InChIKeyHUDTXSGYWGZTPM-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.08
Rot. Bonds5

About 2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide

2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide (PubChem CID 54872585) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide
PubChem CID54872585
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide
SMILESCCCC(N)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-3-4-12(16)13(18)17(2)8-9-5-10(14)7-11(15)6-9/h5-7,12H,3-4,8,16H2,1-2H3
InChIKeyHUDTXSGYWGZTPM-UHFFFAOYSA-N
XLogP3.08
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(3,5-dichlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 76894842
(2R)-2-amino-N-[(4-tert-butylphenyl)methyl]-N-methylpentanamide
CID 103793940
2-amino-N-[(4-methoxyphenyl)methyl]-N-methylpentanamide;hydrochloride
CID 119266470
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 93367197
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide
CID 107568834
(2S)-2-amino-N-[(3-cyanophenyl)methyl]-N-methylpentanamide
CID 93370152
(2R)-2-amino-N-ethyl-N-methylpentanamide
CID 93255557
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride
CID 119285906
2-amino-N-[(3,5-dichlorophenyl)methyl]-N,2-dimethylpentanamide
CID 54872621
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpentanamide
CID 93367493
(2S)-2-amino-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpentanamide
CID 93371369
(2S)-2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)pentanamide
CID 107569472

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide?
The IUPAC name of 2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide (CID 54872585) is 2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide?
The canonical SMILES for 2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide is CCCC(N)C(=O)N(C)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide?
The InChIKey is HUDTXSGYWGZTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-3-4-12(16)13(18)17(2)8-9-5-10(14)7-11(15)6-9/h5-7,12H,3-4,8,16H2,1-2H3.
What are the key properties of 2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide?
2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide has a molecular weight of 289.21 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,5-dichlorophenyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 54872585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).