N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide

C15H19BrN2O — CID 82707700

IUPACN-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1ccc(Br)cc1C#N)C(C)(C)C
InChIInChI=1S/C15H19BrN2O/c1-10(15(2,3)4)7-14(19)18-13-6-5-12(16)8-11(13)9-17/h5-6,8,10H,7H2,1-4H3,(H,18,19)
InChIKeyBOKGSVMLKZJACK-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.33
Rot. Bonds3

About N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide

N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide (PubChem CID 82707700) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide
PubChem CID82707700
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC NameN-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)Nc1ccc(Br)cc1C#N)C(C)(C)C
InChIInChI=1S/C15H19BrN2O/c1-10(15(2,3)4)7-14(19)18-13-6-5-12(16)8-11(13)9-17/h5-6,8,10H,7H2,1-4H3,(H,18,19)
InChIKeyBOKGSVMLKZJACK-UHFFFAOYSA-N
XLogP4.33
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbutanamide
CID 82708856
N-(2-amino-4-bromophenyl)-3,4,4-trimethylpentanamide
CID 63832500
N-(4-bromo-2-cyanophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602644
N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide
CID 82707862
N-(4-bromo-2-cyanophenyl)-4-(methylamino)butanamide
CID 82707852
3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide
CID 82708527
2-amino-N-(4-bromo-2-cyanophenyl)-2-methylpropanamide
CID 82707939
N-(4-bromo-2-cyanophenyl)-2-cyanopropanamide
CID 82708389
N-(4-bromo-2-cyanophenyl)-2-methoxy-2-methylpropanamide
CID 103020238
(4-bromo-2-cyanophenyl)urea
CID 82708837
N-[(4-bromo-2-cyanophenyl)carbamoyl]-2-chloropropanamide
CID 82703908
N-(4-bromo-2-cyanophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103816393

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide (CID 82707700) is N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide is CC(CC(=O)Nc1ccc(Br)cc1C#N)C(C)(C)C.
What is the InChIKey of N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide?
The InChIKey is BOKGSVMLKZJACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-10(15(2,3)4)7-14(19)18-13-6-5-12(16)8-11(13)9-17/h5-6,8,10H,7H2,1-4H3,(H,18,19).
What are the key properties of N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide?
N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide has a molecular weight of 323.23 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 82707700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).