4-chloro-N-ethyl-N-(2-phenylethyl)butanamide

C14H20ClNO — CID 55205589

IUPAC4-chloro-N-ethyl-N-(2-phenylethyl)butanamide
SMILESCCN(CCc1ccccc1)C(=O)CCCCl
InChIInChI=1S/C14H20ClNO/c1-2-16(14(17)9-6-11-15)12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3
InChIKeyOBEHLDCAKCWYKF-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.10
Rot. Bonds7

About 4-chloro-N-ethyl-N-(2-phenylethyl)butanamide

4-chloro-N-ethyl-N-(2-phenylethyl)butanamide (PubChem CID 55205589) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-(2-phenylethyl)butanamide
PubChem CID55205589
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name4-chloro-N-ethyl-N-(2-phenylethyl)butanamide
SMILESCCN(CCc1ccccc1)C(=O)CCCCl
InChIInChI=1S/C14H20ClNO/c1-2-16(14(17)9-6-11-15)12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3
InChIKeyOBEHLDCAKCWYKF-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid
CID 54875421
N-benzyl-5-chloro-N-ethylpentanamide
CID 28727812
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
2-bromo-N-ethyl-N-(2-phenylethyl)acetamide
CID 15342542
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide
CID 113120794
N-dodecyl-N-ethyl-3-phenylpropanamide
CID 91693976
N-(2-chloroethyl)-N-methyl-4-phenylbutanamide
CID 63391707
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
2-anilino-N-ethyl-N-(2-phenylethyl)acetamide
CID 60946372
N-ethyl-N-(2-pyridin-4-ylethyl)pentanamide
CID 110755648
N-(2-hydroxyethyl)-N-(2-phenylethyl)butanamide
CID 111122043

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-(2-phenylethyl)butanamide?
The IUPAC name of 4-chloro-N-ethyl-N-(2-phenylethyl)butanamide (CID 55205589) is 4-chloro-N-ethyl-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 4-chloro-N-ethyl-N-(2-phenylethyl)butanamide?
The canonical SMILES for 4-chloro-N-ethyl-N-(2-phenylethyl)butanamide is CCN(CCc1ccccc1)C(=O)CCCCl.
What is the InChIKey of 4-chloro-N-ethyl-N-(2-phenylethyl)butanamide?
The InChIKey is OBEHLDCAKCWYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-16(14(17)9-6-11-15)12-10-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3.
What are the key properties of 4-chloro-N-ethyl-N-(2-phenylethyl)butanamide?
4-chloro-N-ethyl-N-(2-phenylethyl)butanamide has a molecular weight of 253.77 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 55205589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).