N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide

C14H20BrNO — CID 64593022

IUPACN-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO/c1-13(2,3)12(17)16-14(4,5)10-6-8-11(15)9-7-10/h6-9H,1-5H3,(H,16,17)
InChIKeyIVHDRDLRORQAEP-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.85
Rot. Bonds2

About N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide

N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide (PubChem CID 64593022) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
PubChem CID64593022
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO/c1-13(2,3)12(17)16-14(4,5)10-6-8-11(15)9-7-10/h6-9H,1-5H3,(H,16,17)
InChIKeyIVHDRDLRORQAEP-UHFFFAOYSA-N
XLogP3.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide
CID 103732827
N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
CID 103515044
4-bromo-N-(2-phenylpropan-2-yl)benzamide
CID 47444769
N-[2-(4-bromophenyl)propan-2-yl]but-2-enamide
CID 112727841
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 103928581
N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79203736
2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 43697992
3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide
CID 54923979
N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide
CID 63308093
4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757
6-[2-(4-bromophenyl)propan-2-ylamino]-6-oxohexanoic acid
CID 60941635
N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide
CID 60842935

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide (CID 64593022) is N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(C)(C)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is IVHDRDLRORQAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-13(2,3)12(17)16-14(4,5)10-6-8-11(15)9-7-10/h6-9H,1-5H3,(H,16,17).
What are the key properties of N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide?
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 298.22 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 64593022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).