2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide

C17H16Cl2N2O2 — CID 170896449

IUPAC2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide
SMILESCN(C)CC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-21(2)10-16(22)11-4-3-5-13(8-11)20-17(23)14-7-6-12(18)9-15(14)19/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyRAEFGIINJSDOKU-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.99
Rot. Bonds5

About 2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide

2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide (PubChem CID 170896449) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide
PubChem CID170896449
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide
SMILESCN(C)CC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-21(2)10-16(22)11-4-3-5-13(8-11)20-17(23)14-7-6-12(18)9-15(14)19/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyRAEFGIINJSDOKU-UHFFFAOYSA-N
XLogP3.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dichlorobenzoyl)amino]benzoyl chloride
CID 87323399
ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 769408
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
2,4-dichloro-N-[3-[N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 5078107
2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide
CID 170896491
2,4-dichloro-N-[3-[(2-methylbenzoyl)amino]phenyl]benzamide
CID 1048560
N-[(Z)-1-[3-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]naphthalene-1-carboxamide
CID 6117391
2,4-dichloro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154669
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
2,4-dichloro-N-[3-[(Z)-N-[(3-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 6266105
2,4-dichloro-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079524
2,4-dichloro-N-[[3-[methyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17227923

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide (CID 170896449) is 2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide is CN(C)CC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide?
The InChIKey is RAEFGIINJSDOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-21(2)10-16(22)11-4-3-5-13(8-11)20-17(23)14-7-6-12(18)9-15(14)19/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of 2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide?
2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide has a molecular weight of 351.23 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-[2-(dimethylamino)acetyl]phenyl]benzamide is sourced from PubChem (CID 170896449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).