N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide

C12H16Cl2N2O — CID 17430297

IUPACN-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-8(2)16(3)7-12(17)15-9-4-5-10(13)11(14)6-9/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyLJVSSKTZCNBMCK-UHFFFAOYSA-N
MW275.18 g/mol
LogP3.27
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide

N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide (PubChem CID 17430297) has the molecular formula C12H16Cl2N2O and a molecular weight of 275.18 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
PubChem CID17430297
Molecular FormulaC12H16Cl2N2O
Molecular Weight275.18 g/mol
Exact Mass274.06
IUPAC NameN-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O/c1-8(2)16(3)7-12(17)15-9-4-5-10(13)11(14)6-9/h4-6,8H,7H2,1-3H3,(H,15,17)
InChIKeyLJVSSKTZCNBMCK-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838290
N-(3,4-dichlorophenyl)-2-[dimethylsulfamoyl(methyl)amino]acetamide
CID 35303305
N-(3,4-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8709970
N-(3,4-dichlorophenyl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148609
2-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 78787931
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 116652760
3-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60704303
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-2-ethyl-N-methylbutanamide
CID 112791638
N-(3,4-dichlorophenyl)-2-[diethylsulfamoyl(methyl)amino]acetamide
CID 31070757
N-(3-chloro-4-methylphenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 112706053
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]acetamide
CID 9198212
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 86788739

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide (CID 17430297) is N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide is CC(C)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide?
The InChIKey is LJVSSKTZCNBMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O/c1-8(2)16(3)7-12(17)15-9-4-5-10(13)11(14)6-9/h4-6,8H,7H2,1-3H3,(H,15,17).
What are the key properties of N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide?
N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide has a molecular weight of 275.18 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[methyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 17430297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).