2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide

C17H16Cl2N2O2 — CID 17319950

IUPAC2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)C(Cl)Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11-6-8-12(9-7-11)10-20-16(22)13-4-2-3-5-14(13)21-17(23)15(18)19/h2-9,15H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyZUCWLRYUDWVRGB-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.67
Rot. Bonds5

About 2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide

2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 17319950) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID17319950
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)C(Cl)Cl)cc1
InChIInChI=1S/C17H16Cl2N2O2/c1-11-6-8-12(9-7-11)10-20-16(22)13-4-2-3-5-14(13)21-17(23)15(18)19/h2-9,15H,10H2,1H3,(H,20,22)(H,21,23)
InChIKeyZUCWLRYUDWVRGB-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(2-phenoxypropanoylamino)benzamide
CID 17320785
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899
2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide
CID 3659173
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
N-benzyl-2-[(4-methylbenzoyl)carbamothioylamino]benzamide
CID 4930645
N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 17320578
2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 7998622
N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
CID 55668082
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679402
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
3,4,5-trimethoxy-N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzamide
CID 17320425
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55327835

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide (CID 17319950) is 2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccccc2NC(=O)C(Cl)Cl)cc1.
What is the InChIKey of 2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is ZUCWLRYUDWVRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-11-6-8-12(9-7-11)10-20-16(22)13-4-2-3-5-14(13)21-17(23)15(18)19/h2-9,15H,10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide?
2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 351.23 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 17319950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).