N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide

C14H20ClNO — CID 106845485

IUPACN-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCCCl)cc1
InChIInChI=1S/C14H20ClNO/c1-12-4-6-13(7-5-12)8-9-14(17)16-11-3-2-10-15/h4-7H,2-3,8-11H2,1H3,(H,16,17)
InChIKeyRQDWJNIZRLSUNS-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.06
Rot. Bonds7

About N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide

N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide (PubChem CID 106845485) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
PubChem CID106845485
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCCCCl)cc1
InChIInChI=1S/C14H20ClNO/c1-12-4-6-13(7-5-12)8-9-14(17)16-11-3-2-10-15/h4-7H,2-3,8-11H2,1H3,(H,16,17)
InChIKeyRQDWJNIZRLSUNS-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.06
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

N-(5-chloropentyl)-2-(4-methylphenyl)acetamide
CID 107320841
7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
CID 43359020
N-(6-iodohexyl)-3-(4-methylphenyl)propanamide
CID 107848485
3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide
CID 82110151
N-(4-cyanobutyl)-3-(4-methylphenyl)propanamide
CID 63284353
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide
CID 55102075
3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
CID 10803968
3-(4-methylphenyl)-N-(3-sulfamoylpropyl)propanamide
CID 55070556
N-(3-azidopropyl)-3-(4-methylphenyl)propanamide
CID 62503312
N-(3-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 114301818
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide (CID 106845485) is N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCCCCCl)cc1.
What is the InChIKey of N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide?
The InChIKey is RQDWJNIZRLSUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-12-4-6-13(7-5-12)8-9-14(17)16-11-3-2-10-15/h4-7H,2-3,8-11H2,1H3,(H,16,17).
What are the key properties of N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide?
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide has a molecular weight of 253.77 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 106845485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).