N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide

C15H22BrNO — CID 114310573

IUPACN-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)NC(C)CBr)c1ccccc1
InChIInChI=1S/C15H22BrNO/c1-4-11(2)14(13-8-6-5-7-9-13)15(18)17-12(3)10-16/h5-9,11-12,14H,4,10H2,1-3H3,(H,17,18)
InChIKeyNIKHNMJPXACICG-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.72
Rot. Bonds6

About N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide

N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide (PubChem CID 114310573) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide
PubChem CID114310573
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)NC(C)CBr)c1ccccc1
InChIInChI=1S/C15H22BrNO/c1-4-11(2)14(13-8-6-5-7-9-13)15(18)17-12(3)10-16/h5-9,11-12,14H,4,10H2,1-3H3,(H,17,18)
InChIKeyNIKHNMJPXACICG-UHFFFAOYSA-N
XLogP3.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.72
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-(1,3-dihydroxypropan-2-yl)-3-methyl-2-phenylpentanamide
CID 65315116
3-methyl-2-phenyl-N-(1-pyridin-4-ylethyl)pentanamide
CID 78775690
N-(3-bromobutyl)-3-methyl-2-phenylpentanamide
CID 114312530
N-(1-chloro-3-methoxypropan-2-yl)-3-methyl-2-phenylpentanamide
CID 106183441
N-(2-amino-1-cyclopropylethyl)-3-methyl-2-phenylpentanamide
CID 65188547
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-methyl-2-phenylpentanamide
CID 115456296
N-(3-chloro-2-methylpropyl)-3-methyl-2-phenylpentanamide
CID 114302680
N-(2-aminobutyl)-3-methyl-2-phenylpentanamide
CID 63731148
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606
N-but-3-enyl-3-methyl-2-phenylpentanamide
CID 113466088
N-butan-2-yl-2,2-diphenylacetamide
CID 3094060
N-[2-(2-methoxyethylamino)ethyl]-3-methyl-2-phenylpentanamide
CID 82990815

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide?
The IUPAC name of N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide (CID 114310573) is N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide is CCC(C)C(C(=O)NC(C)CBr)c1ccccc1.
What is the InChIKey of N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide?
The InChIKey is NIKHNMJPXACICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-4-11(2)14(13-8-6-5-7-9-13)15(18)17-12(3)10-16/h5-9,11-12,14H,4,10H2,1-3H3,(H,17,18).
What are the key properties of N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide?
N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide has a molecular weight of 312.25 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 114310573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).