2-chloro-N-(3-ethylphenyl)butanamide

C12H16ClNO — CID 20553592

IUPAC2-chloro-N-(3-ethylphenyl)butanamide
SMILESCCc1cccc(NC(=O)C(Cl)CC)c1
InChIInChI=1S/C12H16ClNO/c1-3-9-6-5-7-10(8-9)14-12(15)11(13)4-2/h5-8,11H,3-4H2,1-2H3,(H,14,15)
InChIKeyUFKUXVFZZFCLCR-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.20
Rot. Bonds4

About 2-chloro-N-(3-ethylphenyl)butanamide

2-chloro-N-(3-ethylphenyl)butanamide (PubChem CID 20553592) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-N-(3-ethylphenyl)butanamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethylphenyl)butanamide
PubChem CID20553592
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-N-(3-ethylphenyl)butanamide
SMILESCCc1cccc(NC(=O)C(Cl)CC)c1
InChIInChI=1S/C12H16ClNO/c1-3-9-6-5-7-10(8-9)14-12(15)11(13)4-2/h5-8,11H,3-4H2,1-2H3,(H,14,15)
InChIKeyUFKUXVFZZFCLCR-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylphenyl)-2-phenylbutanamide
CID 2931545
N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
2-amino-N-(3-ethylphenyl)butanediamide
CID 54928255
2-ethyl-N-[[3-(2-ethylbutanoylamino)phenyl]methyl]butanamide
CID 52845726
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
3-amino-N-(3-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546422
2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide
CID 107769022

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethylphenyl)butanamide?
The IUPAC name of 2-chloro-N-(3-ethylphenyl)butanamide (CID 20553592) is 2-chloro-N-(3-ethylphenyl)butanamide.
What is the SMILES notation for 2-chloro-N-(3-ethylphenyl)butanamide?
The canonical SMILES for 2-chloro-N-(3-ethylphenyl)butanamide is CCc1cccc(NC(=O)C(Cl)CC)c1.
What is the InChIKey of 2-chloro-N-(3-ethylphenyl)butanamide?
The InChIKey is UFKUXVFZZFCLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-9-6-5-7-10(8-9)14-12(15)11(13)4-2/h5-8,11H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-N-(3-ethylphenyl)butanamide?
2-chloro-N-(3-ethylphenyl)butanamide has a molecular weight of 225.72 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethylphenyl)butanamide is sourced from PubChem (CID 20553592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).