N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide

C14H20BrNO — CID 62679370

IUPACN-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-5-14(2,3)13(17)16(4)10-11-7-6-8-12(15)9-11/h6-9H,5,10H2,1-4H3
InChIKeyMDLGQIVTGOAUDZ-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.84
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide

N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide (PubChem CID 62679370) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide
PubChem CID62679370
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO/c1-5-14(2,3)13(17)16(4)10-11-7-6-8-12(15)9-11/h6-9H,5,10H2,1-4H3
InChIKeyMDLGQIVTGOAUDZ-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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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide (CID 62679370) is N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)Cc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide?
The InChIKey is MDLGQIVTGOAUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-5-14(2,3)13(17)16(4)10-11-7-6-8-12(15)9-11/h6-9H,5,10H2,1-4H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide?
N-[(3-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-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide is sourced from PubChem (CID 62679370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).