2-chloro-N-(2-ethylphenyl)-N-propanoylbutanamide

C15H20ClNO2 — CID 70598899

IUPAC2-chloro-N-(2-ethylphenyl)-N-propanoylbutanamide
SMILESCCC(=O)N(C(=O)C(Cl)CC)c1ccccc1CC
InChIInChI=1S/C15H20ClNO2/c1-4-11-9-7-8-10-13(11)17(14(18)6-3)15(19)12(16)5-2/h7-10,12H,4-6H2,1-3H3
InChIKeyDGBSCHDBUDBJGR-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.54
Rot. Bonds5

About 2-chloro-N-(2-ethylphenyl)-N-propanoylbutanamide

2-chloro-N-(2-ethylphenyl)-N-propanoylbutanamide (PubChem CID 70598899) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylphenyl)-N-propanoylbutanamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethylphenyl)-N-propanoylbutanamide
PubChem CID70598899
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name2-chloro-N-(2-ethylphenyl)-N-propanoylbutanamide
SMILESCCC(=O)N(C(=O)C(Cl)CC)c1ccccc1CC
InChIInChI=1S/C15H20ClNO2/c1-4-11-9-7-8-10-13(11)17(14(18)6-3)15(19)12(16)5-2/h7-10,12H,4-6H2,1-3H3
InChIKeyDGBSCHDBUDBJGR-UHFFFAOYSA-N
XLogP3.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-ethylphenyl)-N-(2-propoxyiminoethyl)butanamide
CID 173434454
2-chloro-N-(2-ethylphenyl)-N-(pyrazin-2-ylmethyl)butanamide
CID 70449034
2-chloro-N-[1-(2-ethylphenyl)ethyl]-N-phenylbutanamide
CID 70521625
N-(2-ethylphenyl)-N-hexanoylhexanamide
CID 91711142
2-chloro-N-(propan-2-yloxymethyl)-N-(2-prop-1-enylphenyl)butanamide
CID 70585246
2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid
CID 82317140
2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide
CID 5463823
2-chloro-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-N-(2-methylphenyl)butanamide
CID 70575641
N-acetyl-N-(2-tert-butylphenyl)propanamide
CID 15889837
ethyl 2-(N-(2-chloroacetyl)-2-ethylanilino)acetate
CID 23275207
2-[2-ethyl-N-(2-hydroxyethyl)anilino]ethanol
CID 21391330
carbonic acid;1,2-diethylbenzene
CID 89388803

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylphenyl)-N-propanoylbutanamide?
The IUPAC name of 2-chloro-N-(2-ethylphenyl)-N-propanoylbutanamide (CID 70598899) is 2-chloro-N-(2-ethylphenyl)-N-propanoylbutanamide.
What is the SMILES notation for 2-chloro-N-(2-ethylphenyl)-N-propanoylbutanamide?
The canonical SMILES for 2-chloro-N-(2-ethylphenyl)-N-propanoylbutanamide is CCC(=O)N(C(=O)C(Cl)CC)c1ccccc1CC.
What is the InChIKey of 2-chloro-N-(2-ethylphenyl)-N-propanoylbutanamide?
The InChIKey is DGBSCHDBUDBJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-4-11-9-7-8-10-13(11)17(14(18)6-3)15(19)12(16)5-2/h7-10,12H,4-6H2,1-3H3.
What are the key properties of 2-chloro-N-(2-ethylphenyl)-N-propanoylbutanamide?
2-chloro-N-(2-ethylphenyl)-N-propanoylbutanamide has a molecular weight of 281.78 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylphenyl)-N-propanoylbutanamide is sourced from PubChem (CID 70598899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).