5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide

C13H17Cl2NO — CID 81352741

IUPAC5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide
SMILESC[C@H](NC(=O)CCCCCl)c1ccc(Cl)cc1
InChIInChI=1S/C13H17Cl2NO/c1-10(11-5-7-12(15)8-6-11)16-13(17)4-2-3-9-14/h5-8,10H,2-4,9H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyWLNKJBNHPCWROV-JTQLQIEISA-N
MW274.19 g/mol
LogP3.93
Rot. Bonds6

About 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide

5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide (PubChem CID 81352741) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide
PubChem CID81352741
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide
SMILESC[C@H](NC(=O)CCCCCl)c1ccc(Cl)cc1
InChIInChI=1S/C13H17Cl2NO/c1-10(11-5-7-12(15)8-6-11)16-13(17)4-2-3-9-14/h5-8,10H,2-4,9H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyWLNKJBNHPCWROV-JTQLQIEISA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.93
H-Bond Donors ≤ 51
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

5-chloro-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356972
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81354540
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]pentanamide
CID 43697347
5-chloro-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 81405502
5-chloro-N-[1-(4-propan-2-yloxyphenyl)ethyl]pentanamide
CID 43696732
N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119685501
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-hydroxypentanamide
CID 81354657
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81371294
sodium 4-[1-(4-chlorophenyl)ethylamino]-4-oxobutanoate
CID 154832871
4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559125

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide?
The IUPAC name of 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide (CID 81352741) is 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide?
The canonical SMILES for 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide is C[C@H](NC(=O)CCCCCl)c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide?
The InChIKey is WLNKJBNHPCWROV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-10(11-5-7-12(15)8-6-11)16-13(17)4-2-3-9-14/h5-8,10H,2-4,9H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide?
5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide has a molecular weight of 274.19 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide is sourced from PubChem (CID 81352741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).