2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide

C14H20BrFN2O — CID 107471101

IUPAC2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C14H20BrFN2O/c1-14(2,3)7-9(8-17)13(19)18-12-5-4-10(16)6-11(12)15/h4-6,9H,7-8,17H2,1-3H3,(H,18,19)
InChIKeyNEHYLLKDRHMHNE-UHFFFAOYSA-N
MW331.23 g/mol
LogP3.54
Rot. Bonds4

About 2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide (PubChem CID 107471101) has the molecular formula C14H20BrFN2O and a molecular weight of 331.23 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide
PubChem CID107471101
Molecular FormulaC14H20BrFN2O
Molecular Weight331.23 g/mol
Exact Mass330.07
IUPAC Name2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)Nc1ccc(F)cc1Br
InChIInChI=1S/C14H20BrFN2O/c1-14(2,3)7-9(8-17)13(19)18-12-5-4-10(16)6-11(12)15/h4-6,9H,7-8,17H2,1-3H3,(H,18,19)
InChIKeyNEHYLLKDRHMHNE-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-(2-bromo-5-fluorophenyl)-4,4-dimethylpentanamide
CID 107625734
2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide
CID 107471938
3-amino-N-(2-bromo-4-fluorophenyl)-2-methylpropanamide
CID 62670318
2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide
CID 107611587
2-(aminomethyl)-N-(5-fluoro-2-nitrophenyl)-4,4-dimethylpentanamide
CID 107472536
3-amino-N-(2-bromo-4-fluorophenyl)-2,2-dimethylpropanamide
CID 115426126
ethyl 2-[(2-bromo-4-fluorophenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537726
5-amino-N-(2-bromo-4-fluorophenyl)-2-methylpentanamide
CID 104683578
2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide
CID 107470961
2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide
CID 107471421
(2-bromo-4-fluorophenyl)urea
CID 28939155
3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide
CID 107625700

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide (CID 107471101) is 2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide is CC(C)(C)CC(CN)C(=O)Nc1ccc(F)cc1Br.
What is the InChIKey of 2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide?
The InChIKey is NEHYLLKDRHMHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O/c1-14(2,3)7-9(8-17)13(19)18-12-5-4-10(16)6-11(12)15/h4-6,9H,7-8,17H2,1-3H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide has a molecular weight of 331.23 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107471101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).