3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide

C14H18Cl2N2O2 — CID 113115297

IUPAC3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(Cl)cccc1Cl)C(C)C
InChIInChI=1S/C14H18Cl2N2O2/c1-9(2)18(10(3)19)8-7-13(20)17-14-11(15)5-4-6-12(14)16/h4-6,9H,7-8H2,1-3H3,(H,17,20)
InChIKeyPSAMQNNMWIVSDN-UHFFFAOYSA-N
MW317.22 g/mol
LogP3.58
Rot. Bonds5

About 3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide

3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide (PubChem CID 113115297) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide
PubChem CID113115297
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1c(Cl)cccc1Cl)C(C)C
InChIInChI=1S/C14H18Cl2N2O2/c1-9(2)18(10(3)19)8-7-13(20)17-14-11(15)5-4-6-12(14)16/h4-6,9H,7-8H2,1-3H3,(H,17,20)
InChIKeyPSAMQNNMWIVSDN-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]propanoic acid
CID 62637976
N-(2,6-dichlorophenyl)-3-[1-hydroxypropan-2-yl(methyl)amino]propanamide
CID 104554153
3-[benzhydryl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 24588780
N-(2,6-dichlorophenyl)-3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24589283
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropyl]-methylamino]acetate
CID 60706675
2-[acetyl(1-phenylethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 113162118
3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127330
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
3-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)propanamide
CID 24588994
3-[azetidin-3-yl(methyl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 66185509
3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113125485

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide (CID 113115297) is 3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide is CC(=O)N(CCC(=O)Nc1c(Cl)cccc1Cl)C(C)C.
What is the InChIKey of 3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is PSAMQNNMWIVSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-9(2)18(10(3)19)8-7-13(20)17-14-11(15)5-4-6-12(14)16/h4-6,9H,7-8H2,1-3H3,(H,17,20).
What are the key properties of 3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide?
3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 317.22 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(propan-2-yl)amino]-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 113115297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).