N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide

C22H18Cl2N2O2 — CID 42725017

IUPACN-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C22H18Cl2N2O2/c23-17-11-12-19(18(24)14-17)25-22(28)20(13-15-7-3-1-4-8-15)26-21(27)16-9-5-2-6-10-16/h1-12,14,20H,13H2,(H,25,28)(H,26,27)
InChIKeyIBBIBDMFZLNYTH-UHFFFAOYSA-N
MW413.30 g/mol
LogP4.97
Rot. Bonds6

About N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide

N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide (PubChem CID 42725017) has the molecular formula C22H18Cl2N2O2 and a molecular weight of 413.30 g/mol. Its IUPAC name is N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
PubChem CID42725017
Molecular FormulaC22H18Cl2N2O2
Molecular Weight413.30 g/mol
Exact Mass412.07
IUPAC NameN-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C22H18Cl2N2O2/c23-17-11-12-19(18(24)14-17)25-22(28)20(13-15-7-3-1-4-8-15)26-21(27)16-9-5-2-6-10-16/h1-12,14,20H,13H2,(H,25,28)(H,26,27)
InChIKeyIBBIBDMFZLNYTH-UHFFFAOYSA-N
XLogP4.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide
CID 42725617
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide
CID 42725023
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]naphthalene-1-carboxamide
CID 42725029
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 42725016
N-[1-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55460910
N-[(2S)-1-[(3-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478462
N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 3872811
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
N-[1-(3-acetamidoanilino)-1-oxo-3-phenylpropan-2-yl]-4-chlorobenzamide
CID 55335522
N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55345705
N-[1-[2-(4-chlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 17459300
N-[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42904742

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The IUPAC name of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide (CID 42725017) is N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide is O=C(NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
The InChIKey is IBBIBDMFZLNYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2/c23-17-11-12-19(18(24)14-17)25-22(28)20(13-15-7-3-1-4-8-15)26-21(27)16-9-5-2-6-10-16/h1-12,14,20H,13H2,(H,25,28)(H,26,27).
What are the key properties of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide?
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide has a molecular weight of 413.30 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 42725017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).