N-benzyl-5-chloro-N-ethylpentanamide

C14H20ClNO — CID 28727812

IUPACN-benzyl-5-chloro-N-ethylpentanamide
SMILESCCN(Cc1ccccc1)C(=O)CCCCCl
InChIInChI=1S/C14H20ClNO/c1-2-16(14(17)10-6-7-11-15)12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3
InChIKeyROGSIJOBLUBFJI-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.44
Rot. Bonds7

About N-benzyl-5-chloro-N-ethylpentanamide

N-benzyl-5-chloro-N-ethylpentanamide (PubChem CID 28727812) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-benzyl-5-chloro-N-ethylpentanamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-N-ethylpentanamide
PubChem CID28727812
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-benzyl-5-chloro-N-ethylpentanamide
SMILESCCN(Cc1ccccc1)C(=O)CCCCCl
InChIInChI=1S/C14H20ClNO/c1-2-16(14(17)10-6-7-11-15)12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3
InChIKeyROGSIJOBLUBFJI-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
4-chloro-N-ethyl-N-(2-phenylethyl)butanamide
CID 55205589
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 63307538
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
4-chloro-N-[(2-chlorophenyl)methyl]-N-ethylbutanamide
CID 63308077
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
3-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54875070
N-benzyl-N-ethylcarbamoyl chloride
CID 10679448
6-[ethyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 54876323
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-benzyl-5-chloro-N-(1-cyclopropylethyl)pentanamide
CID 60948375

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-N-ethylpentanamide?
The IUPAC name of N-benzyl-5-chloro-N-ethylpentanamide (CID 28727812) is N-benzyl-5-chloro-N-ethylpentanamide.
What is the SMILES notation for N-benzyl-5-chloro-N-ethylpentanamide?
The canonical SMILES for N-benzyl-5-chloro-N-ethylpentanamide is CCN(Cc1ccccc1)C(=O)CCCCCl.
What is the InChIKey of N-benzyl-5-chloro-N-ethylpentanamide?
The InChIKey is ROGSIJOBLUBFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-2-16(14(17)10-6-7-11-15)12-13-8-4-3-5-9-13/h3-5,8-9H,2,6-7,10-12H2,1H3.
What are the key properties of N-benzyl-5-chloro-N-ethylpentanamide?
N-benzyl-5-chloro-N-ethylpentanamide has a molecular weight of 253.77 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-N-ethylpentanamide is sourced from PubChem (CID 28727812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).