4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide

C12H17BrN2O2 — CID 80545007

IUPAC4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide
SMILESCOc1ccc(Br)c(NC(=O)C(C)CCN)c1
InChIInChI=1S/C12H17BrN2O2/c1-8(5-6-14)12(16)15-11-7-9(17-2)3-4-10(11)13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyWHCINMFHLKIVLH-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.38
Rot. Bonds5

About 4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide

4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide (PubChem CID 80545007) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide
PubChem CID80545007
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide
SMILESCOc1ccc(Br)c(NC(=O)C(C)CCN)c1
InChIInChI=1S/C12H17BrN2O2/c1-8(5-6-14)12(16)15-11-7-9(17-2)3-4-10(11)13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16)
InChIKeyWHCINMFHLKIVLH-UHFFFAOYSA-N
XLogP2.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide
CID 113264050
N-(2-bromo-5-methoxyphenyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 77069948
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
(2S)-2-[(2-bromo-5-methoxyphenyl)carbamoylamino]hexanoic acid
CID 107146231
N-(2-bromo-5-chlorophenyl)-2-methylpentanamide
CID 81272725
4-[(2-bromo-5-methoxyphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107840288
N-(2-bromo-4-methoxyphenyl)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanamide
CID 12016938
N-(2-bromo-5-methoxyphenyl)-4-methoxybenzamide
CID 62416430
3-amino-N-(2-bromo-5-fluorophenyl)-2-methylpropanamide
CID 107625700
N-(2-bromo-5-methylphenyl)-2-methylpentanamide
CID 82706265
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698
N-(2-bromo-5-methoxyphenyl)pentanamide
CID 62416800

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide (CID 80545007) is 4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide is COc1ccc(Br)c(NC(=O)C(C)CCN)c1.
What is the InChIKey of 4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide?
The InChIKey is WHCINMFHLKIVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-8(5-6-14)12(16)15-11-7-9(17-2)3-4-10(11)13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide?
4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide has a molecular weight of 301.18 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromo-5-methoxyphenyl)-2-methylbutanamide is sourced from PubChem (CID 80545007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).