2-amino-N-(3-bromophenyl)-2-methylpentanamide

C12H17BrN2O — CID 60847337

IUPAC2-amino-N-(3-bromophenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-3-7-12(2,14)11(16)15-10-6-4-5-9(13)8-10/h4-6,8H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyTXKFMUUZCOFUHF-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.91
Rot. Bonds4

About 2-amino-N-(3-bromophenyl)-2-methylpentanamide

2-amino-N-(3-bromophenyl)-2-methylpentanamide (PubChem CID 60847337) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-amino-N-(3-bromophenyl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(3-bromophenyl)-2-methylpentanamide
PubChem CID60847337
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-amino-N-(3-bromophenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-3-7-12(2,14)11(16)15-10-6-4-5-9(13)8-10/h4-6,8H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyTXKFMUUZCOFUHF-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408
2-amino-N-(3-ethynylphenyl)-2-methylpentanamide
CID 60847163
N-(3-bromophenyl)-2,2-dimethylbutanamide
CID 670009
2-amino-N-(3-bromo-4-chlorophenyl)-2-methylpentanamide;hydrochloride
CID 119781400
2-amino-N-[3-(difluoromethylsulfanyl)phenyl]-2-methylpentanamide
CID 119770554
2-amino-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 60848199
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]cyclohexanecarboxamide
CID 119814665
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119701089
2-amino-2-methyl-N-[3-(propan-2-ylsulfonylmethyl)phenyl]pentanamide
CID 119784272
2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
CID 106911983
2-amino-2-methyl-N-(2,4,6-tribromophenyl)pentanamide
CID 54928689
2-amino-2-methyl-N-[3-(3-methylbutoxy)phenyl]pentanamide
CID 119753505

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromophenyl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(3-bromophenyl)-2-methylpentanamide (CID 60847337) is 2-amino-N-(3-bromophenyl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(3-bromophenyl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(3-bromophenyl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of 2-amino-N-(3-bromophenyl)-2-methylpentanamide?
The InChIKey is TXKFMUUZCOFUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-7-12(2,14)11(16)15-10-6-4-5-9(13)8-10/h4-6,8H,3,7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-(3-bromophenyl)-2-methylpentanamide?
2-amino-N-(3-bromophenyl)-2-methylpentanamide has a molecular weight of 285.19 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromophenyl)-2-methylpentanamide is sourced from PubChem (CID 60847337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).