5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide

C13H17ClFNO — CID 28971589

IUPAC5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide
SMILESCN(Cc1cccc(F)c1)C(=O)CCCCCl
InChIInChI=1S/C13H17ClFNO/c1-16(13(17)7-2-3-8-14)10-11-5-4-6-12(15)9-11/h4-6,9H,2-3,7-8,10H2,1H3
InChIKeyPNIVBVRSHWHWMA-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.19
Rot. Bonds6

About 5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide

5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide (PubChem CID 28971589) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide
PubChem CID28971589
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide
SMILESCN(Cc1cccc(F)c1)C(=O)CCCCCl
InChIInChI=1S/C13H17ClFNO/c1-16(13(17)7-2-3-8-14)10-11-5-4-6-12(15)9-11/h4-6,9H,2-3,7-8,10H2,1H3
InChIKeyPNIVBVRSHWHWMA-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.19
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

4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119267070
N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 86975850
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide
CID 78851523
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43309193
2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 86975849
4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide
CID 63307611
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide
CID 61422456

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide?
The IUPAC name of 5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide (CID 28971589) is 5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for 5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide?
The canonical SMILES for 5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide is CN(Cc1cccc(F)c1)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide?
The InChIKey is PNIVBVRSHWHWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-16(13(17)7-2-3-8-14)10-11-5-4-6-12(15)9-11/h4-6,9H,2-3,7-8,10H2,1H3.
What are the key properties of 5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide?
5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide has a molecular weight of 257.74 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 28971589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).