N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide

C15H23ClN2O — CID 109032256

IUPACN-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide
SMILESCCCCCNCCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C15H23ClN2O/c1-3-4-5-10-17-11-9-15(19)18-14-8-6-7-13(16)12(14)2/h6-8,17H,3-5,9-11H2,1-2H3,(H,18,19)
InChIKeyXIAVLQPCZXQAAL-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.76
Rot. Bonds8

About N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide

N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide (PubChem CID 109032256) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide
PubChem CID109032256
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide
SMILESCCCCCNCCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C15H23ClN2O/c1-3-4-5-10-17-11-9-15(19)18-14-8-6-7-13(16)12(14)2/h6-8,17H,3-5,9-11H2,1-2H3,(H,18,19)
InChIKeyXIAVLQPCZXQAAL-UHFFFAOYSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54791904
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(2-methylphenyl)-3-(pentylamino)propanamide
CID 109032228
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N-(2,3-dichlorophenyl)-2-(hexadecylamino)acetamide
CID 54808960
3-[(N'-butyl-N-ethylcarbamimidoyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 111150515
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
N-(3-chloro-2-methylphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036028
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
2-(3-chloro-2-methylanilino)-N-pentylacetamide
CID 109006043
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide (CID 109032256) is N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide is CCCCCNCCC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide?
The InChIKey is XIAVLQPCZXQAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-3-4-5-10-17-11-9-15(19)18-14-8-6-7-13(16)12(14)2/h6-8,17H,3-5,9-11H2,1-2H3,(H,18,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide?
N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide has a molecular weight of 282.81 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(pentylamino)propanamide is sourced from PubChem (CID 109032256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).