2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide

C15H22Cl2N2O — CID 8502117

IUPAC2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide
SMILESCN(C)CC(C)(C)CNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-15(2,10-19(3)4)9-18-14(20)8-11-5-6-12(16)13(17)7-11/h5-7H,8-10H2,1-4H3,(H,18,20)
InChIKeyFZULMPAQEVUSES-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.24
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide

2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide (PubChem CID 8502117) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide
PubChem CID8502117
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide
SMILESCN(C)CC(C)(C)CNC(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H22Cl2N2O/c1-15(2,10-19(3)4)9-18-14(20)8-11-5-6-12(16)13(17)7-11/h5-7H,8-10H2,1-4H3,(H,18,20)
InChIKeyFZULMPAQEVUSES-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-sulfanylphenyl)acetamide
CID 107020116
2-(3,4-dichlorophenyl)-N-(2-oxopropyl)acetamide
CID 64996675
4-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-iodobenzamide
CID 55684463
1-[(3,4-dichlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;oxalic acid
CID 163328469
N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
CID 114296344
3-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-iodobenzamide
CID 103734734
3-(3,4-difluorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 86929314
2-(5-amino-2-pyridinyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide
CID 107337382
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methylpropanoic acid
CID 61261366
2-(3,4-dichlorophenyl)-N,N-dimethylacetamide
CID 14740023
2-(3,4-dichlorophenyl)-N-[3-[2-(dimethylamino)ethyldisulfanyl]propyl]acetamide
CID 142460671
N-[3-(dimethylamino)-2,2-dimethylpropyl]propanamide
CID 59842400

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide (CID 8502117) is 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide is CN(C)CC(C)(C)CNC(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide?
The InChIKey is FZULMPAQEVUSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-15(2,10-19(3)4)9-18-14(20)8-11-5-6-12(16)13(17)7-11/h5-7H,8-10H2,1-4H3,(H,18,20).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide?
2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide has a molecular weight of 317.26 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]acetamide is sourced from PubChem (CID 8502117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).