2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide

C14H20BrNO — CID 22398871

IUPAC2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)C(Br)c1ccccc1)C(C)C
InChIInChI=1S/C14H20BrNO/c1-10(2)16(11(3)4)14(17)13(15)12-8-6-5-7-9-12/h5-11,13H,1-4H3
InChIKeySRAWMLBFFPBVDI-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.77
Rot. Bonds4

About 2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide

2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide (PubChem CID 22398871) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide
PubChem CID22398871
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)C(Br)c1ccccc1)C(C)C
InChIInChI=1S/C14H20BrNO/c1-10(2)16(11(3)4)14(17)13(15)12-8-6-5-7-9-12/h5-11,13H,1-4H3
InChIKeySRAWMLBFFPBVDI-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
(2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide
CID 102092739
propan-2-yl (2S)-2-bromo-2-phenylacetate
CID 124636083
methyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate
CID 12653729
(2S)-2-bromo-2-phenylacetate
CID 7000043
(2R,3S)-3-anilino-2,3-diphenyl-N,N-di(propan-2-yl)propanamide
CID 101028936
acetic acid;cumene
CID 172767405
acetic acid;2-phenylpropane-1,1-diol
CID 57375719
2-phenyl-N,N-di(propan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 20564384
3-oxo-3-[[(1S)-1-phenylethyl]-propan-2-ylamino]propanoic acid
CID 15546984
(2S)-2-chloro-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 15533413
2-chloro-N-(1-phenylethyl)-N-propan-2-ylacetamide
CID 117059844

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide (CID 22398871) is 2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)C(Br)c1ccccc1)C(C)C.
What is the InChIKey of 2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide?
The InChIKey is SRAWMLBFFPBVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10(2)16(11(3)4)14(17)13(15)12-8-6-5-7-9-12/h5-11,13H,1-4H3.
What are the key properties of 2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide?
2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide has a molecular weight of 298.22 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 22398871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).