3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide

C17H16Cl2N2O2 — CID 46424594

IUPAC3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-21(2)17(23)13-5-3-4-11(8-13)10-20-16(22)12-6-7-14(18)15(19)9-12/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyQXVIJHZNPNIACK-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.63
Rot. Bonds4

About 3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide

3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 46424594) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide
PubChem CID46424594
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-21(2)17(23)13-5-3-4-11(8-13)10-20-16(22)12-6-7-14(18)15(19)9-12/h3-9H,10H2,1-2H3,(H,20,22)
InChIKeyQXVIJHZNPNIACK-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
3,4-dichloro-N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]benzamide
CID 25054825
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292199
3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 46424487
N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-2-carboxamide
CID 46415352
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide
CID 46415615
5,6-dichloro-N-[[3-(ethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55769960
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46415679
N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-fluorobenzamide
CID 134039269
4-chloro-3-[(3-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738770

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide (CID 46424594) is 3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide is CN(C)C(=O)c1cccc(CNC(=O)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is QXVIJHZNPNIACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-21(2)17(23)13-5-3-4-11(8-13)10-20-16(22)12-6-7-14(18)15(19)9-12/h3-9H,10H2,1-2H3,(H,20,22).
What are the key properties of 3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide?
3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 351.23 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 46424594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).