3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide

C15H21ClN2O2 — CID 113115826

IUPAC3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide
SMILESCCCCN(CCC(=O)Nc1ccccc1Cl)C(C)=O
InChIInChI=1S/C15H21ClN2O2/c1-3-4-10-18(12(2)19)11-9-15(20)17-14-8-6-5-7-13(14)16/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyPAUROTZLYHNYMZ-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.32
Rot. Bonds7

About 3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide

3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide (PubChem CID 113115826) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide
PubChem CID113115826
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide
SMILESCCCCN(CCC(=O)Nc1ccccc1Cl)C(C)=O
InChIInChI=1S/C15H21ClN2O2/c1-3-4-10-18(12(2)19)11-9-15(20)17-14-8-6-5-7-13(14)16/h5-8H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyPAUROTZLYHNYMZ-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113115032
N-(2-chlorophenyl)hexanamide
CID 4644560
methyl 3-[3-[acetyl(butyl)amino]propanoylamino]-4-chlorobenzoate
CID 113115860
3-[acetyl(butyl)amino]-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 113115861
N-(2-chlorophenyl)octanamide
CID 2292983
N-(2-chlorophenyl)-2-(dibutylamino)acetamide
CID 18870799
3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
CID 113115004
3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113115094
3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113122534
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117893
3-[acetyl(butyl)amino]-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 113115887
N-(2-chlorophenyl)-3-[2-hydroxyethyl(propyl)amino]propanamide
CID 60774874

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide (CID 113115826) is 3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide is CCCCN(CCC(=O)Nc1ccccc1Cl)C(C)=O.
What is the InChIKey of 3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide?
The InChIKey is PAUROTZLYHNYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-3-4-10-18(12(2)19)11-9-15(20)17-14-8-6-5-7-13(14)16/h5-8H,3-4,9-11H2,1-2H3,(H,17,20).
What are the key properties of 3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide?
3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide has a molecular weight of 296.80 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 113115826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).