3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide

C17H16Cl2N2O2 — CID 17189296

IUPAC3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-10(2)16(22)20-14-4-3-5-15(9-14)21-17(23)11-6-12(18)8-13(19)7-11/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyFTOYDHHRLRUAGI-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.84
Rot. Bonds4

About 3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide

3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide (PubChem CID 17189296) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide
PubChem CID17189296
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H16Cl2N2O2/c1-10(2)16(22)20-14-4-3-5-15(9-14)21-17(23)11-6-12(18)8-13(19)7-11/h3-10H,1-2H3,(H,20,22)(H,21,23)
InChIKeyFTOYDHHRLRUAGI-UHFFFAOYSA-N
XLogP4.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3,5-dichloro-N-[3-(phenylcarbamoylamino)phenyl]benzamide
CID 10971378
N-[3-(2-methylpropanoylamino)phenyl]-4-phenylbenzamide
CID 1332956
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
N-(3,5-dichlorophenyl)-2-methylpropanamide
CID 797394
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
N-(2,5-dichlorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3389767
N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide
CID 2937599
3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
CID 46485899
N-[3-(butan-2-ylcarbamoyl)phenyl]-3,5-dichlorobenzamide
CID 17198935
N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3737754
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The IUPAC name of 3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide (CID 17189296) is 3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide is CC(C)C(=O)Nc1cccc(NC(=O)c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of 3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
The InChIKey is FTOYDHHRLRUAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-10(2)16(22)20-14-4-3-5-15(9-14)21-17(23)11-6-12(18)8-13(19)7-11/h3-10H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide?
3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide has a molecular weight of 351.23 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[3-(2-methylpropanoylamino)phenyl]benzamide is sourced from PubChem (CID 17189296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).