3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide

C18H18Cl2N2O2 — CID 46424487

IUPAC3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-22(2)18(24)13-6-3-5-12(9-13)11-21-17(23)10-14-15(19)7-4-8-16(14)20/h3-9H,10-11H2,1-2H3,(H,21,23)
InChIKeyZXVUGCLMUIWKDS-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.55
Rot. Bonds5

About 3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide

3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 46424487) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
PubChem CID46424487
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-22(2)18(24)13-6-3-5-12(9-13)11-21-17(23)10-14-15(19)7-4-8-16(14)20/h3-9H,10-11H2,1-2H3,(H,21,23)
InChIKeyZXVUGCLMUIWKDS-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485
3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46424594
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54358571
N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 46415352
N-[2-[[3-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46424596
2-(2-chloro-6-fluorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63310904
2-(2,6-dichlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167318
N-[(2-chlorophenyl)methyl]-2-(2,6-dichlorophenyl)acetamide
CID 2679601
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 119287449
5-chloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 59661959
2-(2,6-dichlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 60520543

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide (CID 46424487) is 3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(CNC(=O)Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is ZXVUGCLMUIWKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-22(2)18(24)13-6-3-5-12(9-13)11-21-17(23)10-14-15(19)7-4-8-16(14)20/h3-9H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide?
3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 365.26 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 46424487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).