2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

C15H20Cl2N2O2 — CID 49320012

IUPAC2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCC(C)NC(=O)CNC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O2/c1-9(2)19-13(20)8-18-14(21)15(3,4)10-5-6-11(16)12(17)7-10/h5-7,9H,8H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyZFGJCIZIJKWRET-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.91
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (PubChem CID 49320012) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
PubChem CID49320012
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCC(C)NC(=O)CNC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H20Cl2N2O2/c1-9(2)19-13(20)8-18-14(21)15(3,4)10-5-6-11(16)12(17)7-10/h5-7,9H,8H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyZFGJCIZIJKWRET-UHFFFAOYSA-N
XLogP2.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-N-[3-(dimethylamino)-3-oxopropyl]-2-methylpropanamide
CID 49379512
(2S)-2-[[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694411
2-[[2-[(3,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-N-propan-2-ylacetamide
CID 9301227
2-(3,4-dichlorophenyl)-2-methylpropanoate
CID 51664096
2-[[2-[2-(3,4-dichlorophenyl)propan-2-ylamino]acetyl]amino]acetic acid;hydrochloride
CID 91647853
4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 27743223
3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 9301786
2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide
CID 75372511
(2S)-2-amino-N-[2-(3,4-dichlorophenyl)-2-ethylbutyl]propanamide
CID 119318819
2-[[2-(2,5-dichlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 47115759
2-chloro-5-methylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 34141661
2-(4-chlorophenyl)-N-(2-hydroxypropyl)-2-methylpropanamide
CID 110466162

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (CID 49320012) is 2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is CC(C)NC(=O)CNC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The InChIKey is ZFGJCIZIJKWRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-9(2)19-13(20)8-18-14(21)15(3,4)10-5-6-11(16)12(17)7-10/h5-7,9H,8H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of 2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide has a molecular weight of 331.24 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 49320012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).