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

C23H20Cl2N2O2 — CID 42725023

IUPACN-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H20Cl2N2O2/c1-15-7-5-6-10-18(15)22(28)27-21(13-16-8-3-2-4-9-16)23(29)26-20-12-11-17(24)14-19(20)25/h2-12,14,21H,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyALHSGZHXELITRK-UHFFFAOYSA-N
MW427.33 g/mol
LogP5.28
Rot. Bonds6

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

N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide (PubChem CID 42725023) has the molecular formula C23H20Cl2N2O2 and a molecular weight of 427.33 g/mol. Its IUPAC name is N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide
PubChem CID42725023
Molecular FormulaC23H20Cl2N2O2
Molecular Weight427.33 g/mol
Exact Mass426.09
IUPAC NameN-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H20Cl2N2O2/c1-15-7-5-6-10-18(15)22(28)27-21(13-16-8-3-2-4-9-16)23(29)26-20-12-11-17(24)14-19(20)25/h2-12,14,21H,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyALHSGZHXELITRK-UHFFFAOYSA-N
XLogP5.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.33
LogP ≤ 55.28
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]naphthalene-1-carboxamide
CID 42725029
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 42725017
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 42725016
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide
CID 42725617
2-chloro-N-[1-(5-fluoro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 118296500
acetyl chloride;2-[(2-methylbenzoyl)amino]-3-phenylpropanoic acid
CID 174997492
2-chloro-N-[(2R)-1-(2-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 144901028
5-chloro-N-[(2R)-1-(4-chloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-hydroxybenzamide
CID 46863371
2-methyl-N-[2,2,2-trichloro-1-[(2,4-dichlorophenyl)carbamothioylamino]ethyl]benzamide
CID 3092501
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
2,4-dichloro-N-[(2S)-1-oxo-3-phenyl-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]benzamide
CID 93099916
N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55345705

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide (CID 42725023) is N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide?
The InChIKey is ALHSGZHXELITRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O2/c1-15-7-5-6-10-18(15)22(28)27-21(13-16-8-3-2-4-9-16)23(29)26-20-12-11-17(24)14-19(20)25/h2-12,14,21H,13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide?
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2-methylbenzamide has a molecular weight of 427.33 g/mol, XLogP of 5.28, 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]-2-methylbenzamide is sourced from PubChem (CID 42725023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).