N-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide

C13H19ClN2O — CID 70558605

IUPACN-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide
SMILESCC(=O)NCCC(c1cccc(Cl)c1)N(C)C
InChIInChI=1S/C13H19ClN2O/c1-10(17)15-8-7-13(16(2)3)11-5-4-6-12(14)9-11/h4-6,9,13H,7-8H2,1-3H3,(H,15,17)
InChIKeyVWNLSGIAEXAYJB-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.47
Rot. Bonds5

About N-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide

N-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide (PubChem CID 70558605) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide
PubChem CID70558605
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC NameN-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide
SMILESCC(=O)NCCC(c1cccc(Cl)c1)N(C)C
InChIInChI=1S/C13H19ClN2O/c1-10(17)15-8-7-13(16(2)3)11-5-4-6-12(14)9-11/h4-6,9,13H,7-8H2,1-3H3,(H,15,17)
InChIKeyVWNLSGIAEXAYJB-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-chloro-N-methylanilino)propyl]acetamide
CID 154166795
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
N-[4-(3,5-dichlorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882625
2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63583159
cis-(1R,3S)-3-[[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 100851387
2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide
CID 55019741
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623936
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-methylphenoxy)acetamide
CID 112506773
N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide
CID 28710214
N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
CID 139194092
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
[1-[[3-(3-chlorophenyl)-3-hydroxypropyl]amino]-2-methyl-1-oxopropan-2-yl] acetate
CID 91624388

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide?
The IUPAC name of N-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide (CID 70558605) is N-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide is CC(=O)NCCC(c1cccc(Cl)c1)N(C)C.
What is the InChIKey of N-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide?
The InChIKey is VWNLSGIAEXAYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10(17)15-8-7-13(16(2)3)11-5-4-6-12(14)9-11/h4-6,9,13H,7-8H2,1-3H3,(H,15,17).
What are the key properties of N-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide?
N-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide has a molecular weight of 254.76 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 70558605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).