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

C20H22Cl2N2O2 — CID 42725016

IUPACN-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-20(2,3)19(26)24-17(11-13-7-5-4-6-8-13)18(25)23-16-10-9-14(21)12-15(16)22/h4-10,12,17H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIIKHBDDRWZLMBI-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.71
Rot. Bonds5

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

N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 42725016) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
PubChem CID42725016
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC NameN-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O2/c1-20(2,3)19(26)24-17(11-13-7-5-4-6-8-13)18(25)23-16-10-9-14(21)12-15(16)22/h4-10,12,17H,11H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyIIKHBDDRWZLMBI-UHFFFAOYSA-N
XLogP4.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.71
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]benzamide
CID 42725017
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]-3-fluorobenzamide
CID 42725617
N-(2,4-dichlorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871086
2-(2,2-dimethylpropanoylamino)-3-phenylpropanoyl chloride;propan-2-one
CID 174435245
2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide
CID 59684320
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-3-phenylpropanamide
CID 28539179
2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide
CID 67704235
(2S)-N-(2,4-dichlorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165399
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963909
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]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide (CID 42725016) is N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is IIKHBDDRWZLMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c1-20(2,3)19(26)24-17(11-13-7-5-4-6-8-13)18(25)23-16-10-9-14(21)12-15(16)22/h4-10,12,17H,11H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide?
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 393.31 g/mol, XLogP of 4.71, 5 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]-2,2-dimethylpropanamide is sourced from PubChem (CID 42725016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).