N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide

C14H20ClNO — CID 105059655

IUPACN-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC(C)(CCl)c1ccccc1
InChIInChI=1S/C14H20ClNO/c1-4-11(2)13(17)16-14(3,10-15)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,16,17)
InChIKeyIYBQJGHDWZEGPS-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.30
Rot. Bonds5

About N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide

N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide (PubChem CID 105059655) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide
PubChem CID105059655
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC(C)(CCl)c1ccccc1
InChIInChI=1S/C14H20ClNO/c1-4-11(2)13(17)16-14(3,10-15)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,16,17)
InChIKeyIYBQJGHDWZEGPS-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.30
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-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide
CID 105059797
N-(1-hydroxy-2-phenylpropan-2-yl)-2-methyl-3-(methylamino)propanamide
CID 105058116
N-(1-chloro-2-phenylpropan-2-yl)-2-methylsulfonylacetamide
CID 105059666
N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide
CID 105059916
N-[(2R)-2-phenylbutan-2-yl]acetamide
CID 101079586
N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide
CID 105059845
(2R)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylbutanamide
CID 105058270
2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331
N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212847
2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059808
N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide
CID 105058924
N-(1-chloro-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811397

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide?
The IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide (CID 105059655) is N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide.
What is the SMILES notation for N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide?
The canonical SMILES for N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide is CCC(C)C(=O)NC(C)(CCl)c1ccccc1.
What is the InChIKey of N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide?
The InChIKey is IYBQJGHDWZEGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-4-11(2)13(17)16-14(3,10-15)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,16,17).
What are the key properties of N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide?
N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide has a molecular weight of 253.77 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide is sourced from PubChem (CID 105059655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).