2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide

C14H19BrF2N2O — CID 107611587

IUPAC2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C14H19BrF2N2O/c1-14(2,3)6-8(7-18)13(20)19-12-5-10(16)9(15)4-11(12)17/h4-5,8H,6-7,18H2,1-3H3,(H,19,20)
InChIKeyMPAYLNHREVTMKJ-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.68
Rot. Bonds4

About 2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide

2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide (PubChem CID 107611587) has the molecular formula C14H19BrF2N2O and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide
PubChem CID107611587
Molecular FormulaC14H19BrF2N2O
Molecular Weight349.22 g/mol
Exact Mass348.06
IUPAC Name2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C14H19BrF2N2O/c1-14(2,3)6-8(7-18)13(20)19-12-5-10(16)9(15)4-11(12)17/h4-5,8H,6-7,18H2,1-3H3,(H,19,20)
InChIKeyMPAYLNHREVTMKJ-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-N-(2-bromo-4-fluorophenyl)-4,4-dimethylpentanamide
CID 107471101
2-(aminomethyl)-N-(2-bromo-5-fluorophenyl)-4,4-dimethylpentanamide
CID 107625734
3-amino-N-(4-bromo-2,5-difluorophenyl)-2-methoxypropanamide
CID 106114183
(2S)-2-amino-N-(4-bromo-2,5-difluorophenyl)propanamide
CID 107611709
2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide
CID 107470961
2-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)-4,4-dimethylpentanamide
CID 107471938
2-amino-N-(4-bromo-2,5-difluorophenyl)-2-ethylbutanamide
CID 107611725
2-(aminomethyl)-N-(2-cyano-3-fluorophenyl)-4,4-dimethylpentanamide
CID 107471228
2-amino-N-(4-bromo-2,5-difluorophenyl)-2-methylpentanamide
CID 107611809
2-(aminomethyl)-N-(5-fluoro-2-nitrophenyl)-4,4-dimethylpentanamide
CID 107472536
4-amino-N-(4-bromo-2,5-difluorophenyl)butanamide
CID 107611740
2-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide
CID 107471361

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide (CID 107611587) is 2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide is CC(C)(C)CC(CN)C(=O)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of 2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide?
The InChIKey is MPAYLNHREVTMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF2N2O/c1-14(2,3)6-8(7-18)13(20)19-12-5-10(16)9(15)4-11(12)17/h4-5,8H,6-7,18H2,1-3H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide?
2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide has a molecular weight of 349.22 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 107611587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).