N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide

C14H20BrNO — CID 55102721

IUPACN-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C14H20BrNO/c1-5-14(2,3)13(17)16(4)10-11-8-6-7-9-12(11)15/h6-9H,5,10H2,1-4H3
InChIKeyFFVILQSIEAONGE-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.84
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide

N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide (PubChem CID 55102721) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide
PubChem CID55102721
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1ccccc1Br
InChIInChI=1S/C14H20BrNO/c1-5-14(2,3)13(17)16(4)10-11-8-6-7-9-12(11)15/h6-9H,5,10H2,1-4H3
InChIKeyFFVILQSIEAONGE-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-[(2-bromophenyl)methyl]-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
CID 76921020
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
N-[(2-bromophenyl)methyl]-N-methylheptanamide
CID 113221232
2-amino-N-[(2-bromophenyl)methyl]-N,3,3-trimethylbutanamide
CID 76895271
N-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide
CID 121446669
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
N-[(2-bromophenyl)methyl]-4-ethoxy-N-methylbutanamide
CID 112728025
N-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 78964341
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 54869193
N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641092

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide (CID 55102721) is N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide?
The InChIKey is FFVILQSIEAONGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-5-14(2,3)13(17)16(4)10-11-8-6-7-9-12(11)15/h6-9H,5,10H2,1-4H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide?
N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide has a molecular weight of 298.22 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N,2,2-trimethylbutanamide is sourced from PubChem (CID 55102721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).