5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide

C14H20ClNO2 — CID 60872587

IUPAC5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide
SMILESCCOc1cccc(CNC(=O)CCCCCl)c1
InChIInChI=1S/C14H20ClNO2/c1-2-18-13-7-5-6-12(10-13)11-16-14(17)8-3-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3,(H,16,17)
InChIKeyVOWYWDQTHXZKCV-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.11
Rot. Bonds8

About 5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide

5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide (PubChem CID 60872587) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide
PubChem CID60872587
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide
SMILESCCOc1cccc(CNC(=O)CCCCCl)c1
InChIInChI=1S/C14H20ClNO2/c1-2-18-13-7-5-6-12(10-13)11-16-14(17)8-3-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3,(H,16,17)
InChIKeyVOWYWDQTHXZKCV-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

6-[(3-ethoxyphenyl)methylamino]-6-oxohexanoic acid
CID 60872975
N-[(3-ethoxyphenyl)methyl]-4-hydroxybutanamide
CID 79191557
N-[(3-ethoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119714458
3-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 60872199
6-amino-N-[(3-ethoxyphenyl)methyl]-4,4-dimethylhexanamide
CID 65290667
N-[(3-ethoxyphenyl)methyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 30398538
N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
CID 118576354
3-chloro-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 55245625
N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide
CID 49337433
2-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 112730361
3-(3,4-dimethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 38019787
N-[(3-ethoxyphenyl)methyl]but-2-enamide
CID 112728923

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide?
The IUPAC name of 5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide (CID 60872587) is 5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide?
The canonical SMILES for 5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide is CCOc1cccc(CNC(=O)CCCCCl)c1.
What is the InChIKey of 5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide?
The InChIKey is VOWYWDQTHXZKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-2-18-13-7-5-6-12(10-13)11-16-14(17)8-3-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide?
5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide has a molecular weight of 269.77 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-ethoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 60872587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).