N-(2-bromopentyl)-3-(2-methylphenyl)propanamide

C15H22BrNO — CID 113496509

IUPACN-(2-bromopentyl)-3-(2-methylphenyl)propanamide
SMILESCCCC(Br)CNC(=O)CCc1ccccc1C
InChIInChI=1S/C15H22BrNO/c1-3-6-14(16)11-17-15(18)10-9-13-8-5-4-7-12(13)2/h4-5,7-8,14H,3,6,9-11H2,1-2H3,(H,17,18)
InChIKeyUDDVUNIGSQSKEI-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.61
Rot. Bonds7

About N-(2-bromopentyl)-3-(2-methylphenyl)propanamide

N-(2-bromopentyl)-3-(2-methylphenyl)propanamide (PubChem CID 113496509) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-(2-bromopentyl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-bromopentyl)-3-(2-methylphenyl)propanamide
PubChem CID113496509
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-(2-bromopentyl)-3-(2-methylphenyl)propanamide
SMILESCCCC(Br)CNC(=O)CCc1ccccc1C
InChIInChI=1S/C15H22BrNO/c1-3-6-14(16)11-17-15(18)10-9-13-8-5-4-7-12(13)2/h4-5,7-8,14H,3,6,9-11H2,1-2H3,(H,17,18)
InChIKeyUDDVUNIGSQSKEI-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4,4-dimethylpentyl)-3-(2-methylphenyl)propanamide
CID 107156685
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832
N-(2-bromo-2-phenylethyl)-3-(2-methylphenyl)propanamide
CID 114308227
N-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide
CID 103658237
N-(3-bromopropyl)-3-(2-methylphenyl)propanamide
CID 62365536
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
4-methyl-1-(2-methylphenyl)heptan-3-one
CID 107891244
2-[3-(2-methylphenyl)propanoylamino]ethanethioic S-acid
CID 3036184
1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide
CID 103862326
N-(3-iodopropyl)-3-(2-methylphenyl)propanamide
CID 114504156
5-methyl-1-(2-methylphenyl)octan-3-one
CID 105091409

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopentyl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(2-bromopentyl)-3-(2-methylphenyl)propanamide (CID 113496509) is N-(2-bromopentyl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(2-bromopentyl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(2-bromopentyl)-3-(2-methylphenyl)propanamide is CCCC(Br)CNC(=O)CCc1ccccc1C.
What is the InChIKey of N-(2-bromopentyl)-3-(2-methylphenyl)propanamide?
The InChIKey is UDDVUNIGSQSKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-6-14(16)11-17-15(18)10-9-13-8-5-4-7-12(13)2/h4-5,7-8,14H,3,6,9-11H2,1-2H3,(H,17,18).
What are the key properties of N-(2-bromopentyl)-3-(2-methylphenyl)propanamide?
N-(2-bromopentyl)-3-(2-methylphenyl)propanamide has a molecular weight of 312.25 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopentyl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 113496509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).