2-chloro-N,N-diethyl-4-phenylbutanamide

C14H20ClNO — CID 62880249

IUPAC2-chloro-N,N-diethyl-4-phenylbutanamide
SMILESCCN(CC)C(=O)C(Cl)CCc1ccccc1
InChIInChI=1S/C14H20ClNO/c1-3-16(4-2)14(17)13(15)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeyCHJPECLXPGIIEX-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.10
Rot. Bonds6

About 2-chloro-N,N-diethyl-4-phenylbutanamide

2-chloro-N,N-diethyl-4-phenylbutanamide (PubChem CID 62880249) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-4-phenylbutanamide.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-4-phenylbutanamide
PubChem CID62880249
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-N,N-diethyl-4-phenylbutanamide
SMILESCCN(CC)C(=O)C(Cl)CCc1ccccc1
InChIInChI=1S/C14H20ClNO/c1-3-16(4-2)14(17)13(15)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKeyCHJPECLXPGIIEX-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

3,5-dichloro-1,7-diphenylheptan-4-one
CID 56634500
N,N-diethyl-2-(4-phenylbutan-2-ylamino)propanamide
CID 43425172
2-chloro-4-phenyl-N-propylbutanamide
CID 62879556
2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
CID 104984270
N,N-diethyl-2-hydroxy-3-phenylpropanamide
CID 102481935
(2S)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)-4-phenylbutanamide
CID 104983828
(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide
CID 104983957
N-ethyl-2-methyl-N-(2-phenylethyl)butanamide
CID 78853488
[(3R)-3,4-dichlorobutyl]benzene
CID 129394752
4-chloro-N-ethyl-N-(2-phenylethyl)butanamide
CID 55205589
2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 62225537
2-(benzylamino)-N,N-diethylpropanamide
CID 43112479

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-diethyl-4-phenylbutanamide?
The IUPAC name of 2-chloro-N,N-diethyl-4-phenylbutanamide (CID 62880249) is 2-chloro-N,N-diethyl-4-phenylbutanamide.
What is the SMILES notation for 2-chloro-N,N-diethyl-4-phenylbutanamide?
The canonical SMILES for 2-chloro-N,N-diethyl-4-phenylbutanamide is CCN(CC)C(=O)C(Cl)CCc1ccccc1.
What is the InChIKey of 2-chloro-N,N-diethyl-4-phenylbutanamide?
The InChIKey is CHJPECLXPGIIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-16(4-2)14(17)13(15)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3.
What are the key properties of 2-chloro-N,N-diethyl-4-phenylbutanamide?
2-chloro-N,N-diethyl-4-phenylbutanamide has a molecular weight of 253.77 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-4-phenylbutanamide is sourced from PubChem (CID 62880249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).