2-(3-chlorophenyl)-2-methyl-N-propylpropanamide

C13H18ClNO — CID 110437628

IUPAC2-(3-chlorophenyl)-2-methyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-4-8-15-12(16)13(2,3)10-6-5-7-11(14)9-10/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeyWMAXTJIQYHDSLS-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.14
Rot. Bonds4

About 2-(3-chlorophenyl)-2-methyl-N-propylpropanamide

2-(3-chlorophenyl)-2-methyl-N-propylpropanamide (PubChem CID 110437628) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-methyl-N-propylpropanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-methyl-N-propylpropanamide
PubChem CID110437628
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-(3-chlorophenyl)-2-methyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)c1cccc(Cl)c1
InChIInChI=1S/C13H18ClNO/c1-4-8-15-12(16)13(2,3)10-6-5-7-11(14)9-10/h5-7,9H,4,8H2,1-3H3,(H,15,16)
InChIKeyWMAXTJIQYHDSLS-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 110437674
2-(3-chlorophenyl)-N-(3-ethoxypropyl)-2-methylpropanamide
CID 110437667
2-(3-chlorophenyl)-2-methyl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 110437684
2-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 110437648
2-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
CID 110437686
2-(3-chlorophenyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 110437654
2-(3-chlorophenyl)-2-(propylamino)butanoic acid
CID 43754042
2-(3-chlorophenyl)-2-methyl-N-(2-piperidin-3-ylethyl)propanamide
CID 119555390
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
5-[[[2-(3-chlorophenyl)-2-methylpropanoyl]amino]methyl]furan-2-carboxylic acid
CID 119245730
2-(3-chlorophenyl)-2-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]propanamide
CID 75372511
5-[[[2-(3-chlorophenyl)-2-methylpropanoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226257

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-methyl-N-propylpropanamide?
The IUPAC name of 2-(3-chlorophenyl)-2-methyl-N-propylpropanamide (CID 110437628) is 2-(3-chlorophenyl)-2-methyl-N-propylpropanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-methyl-N-propylpropanamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-methyl-N-propylpropanamide is CCCNC(=O)C(C)(C)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-methyl-N-propylpropanamide?
The InChIKey is WMAXTJIQYHDSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-4-8-15-12(16)13(2,3)10-6-5-7-11(14)9-10/h5-7,9H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 2-(3-chlorophenyl)-2-methyl-N-propylpropanamide?
2-(3-chlorophenyl)-2-methyl-N-propylpropanamide has a molecular weight of 239.75 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-methyl-N-propylpropanamide is sourced from PubChem (CID 110437628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).