2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide

C13H19BrN2O — CID 119124787

IUPAC2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(NCc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C13H19BrN2O/c1-13(2,3)11(12(15)17)16-8-9-4-6-10(14)7-5-9/h4-7,11,16H,8H2,1-3H3,(H2,15,17)
InChIKeyAYZAXIJWMFVWAM-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.44
Rot. Bonds4

About 2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide

2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide (PubChem CID 119124787) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide
PubChem CID119124787
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(NCc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C13H19BrN2O/c1-13(2,3)11(12(15)17)16-8-9-4-6-10(14)7-5-9/h4-7,11,16H,8H2,1-3H3,(H2,15,17)
InChIKeyAYZAXIJWMFVWAM-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methylamino]propanamide
CID 43402314
2-[(3-bromo-4-fluorophenyl)methylamino]-3,3-dimethylbutanamide
CID 119124785
2-[(4-cyanophenyl)methylamino]-3,3-dimethylbutanamide
CID 119124792
(2R)-2-[(4-bromo-3-nitrophenyl)methylamino]-3,3-dimethylbutanamide
CID 100649732
2-[(3-chlorophenyl)methylamino]-3,3-dimethylbutanamide
CID 119127733
2-[(3-fluoro-4-methoxyphenyl)methylamino]-3,3-dimethylbutanamide
CID 119127723
(2R)-2-amino-N-[(4-bromophenyl)methyl]-3,3-dimethylbutanamide
CID 103928385
(2S)-3,3-dimethyl-2-(1,2-oxazol-3-ylmethylamino)butanamide
CID 71866136
4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide
CID 43783642
2-bromo-N-[(4-bromophenyl)methyl]-2-methylpropanamide
CID 116816881
N-[(4-bromophenyl)methyl]-2-hydroxy-2-methylpropanamide
CID 104936890
4-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]benzoic acid
CID 81353874

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide?
The IUPAC name of 2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide (CID 119124787) is 2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide?
The canonical SMILES for 2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide is CC(C)(C)C(NCc1ccc(Br)cc1)C(N)=O.
What is the InChIKey of 2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide?
The InChIKey is AYZAXIJWMFVWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-13(2,3)11(12(15)17)16-8-9-4-6-10(14)7-5-9/h4-7,11,16H,8H2,1-3H3,(H2,15,17).
What are the key properties of 2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide?
2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide has a molecular weight of 299.21 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide is sourced from PubChem (CID 119124787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).