3-amino-5-bromo-N-methoxy-2-methyl-N-(2-methylpropyl)benzamide

C13H19BrN2O2 — CID 114276923

IUPAC3-amino-5-bromo-N-methoxy-2-methyl-N-(2-methylpropyl)benzamide
SMILESCON(CC(C)C)C(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C13H19BrN2O2/c1-8(2)7-16(18-4)13(17)11-5-10(14)6-12(15)9(11)3/h5-6,8H,7,15H2,1-4H3
InChIKeyLMLPNBUABNCSSD-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.00
Rot. Bonds4

About 3-amino-5-bromo-N-methoxy-2-methyl-N-(2-methylpropyl)benzamide

3-amino-5-bromo-N-methoxy-2-methyl-N-(2-methylpropyl)benzamide (PubChem CID 114276923) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 3-amino-5-bromo-N-methoxy-2-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-methoxy-2-methyl-N-(2-methylpropyl)benzamide
PubChem CID114276923
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC Name3-amino-5-bromo-N-methoxy-2-methyl-N-(2-methylpropyl)benzamide
SMILESCON(CC(C)C)C(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C13H19BrN2O2/c1-8(2)7-16(18-4)13(17)11-5-10(14)6-12(15)9(11)3/h5-6,8H,7,15H2,1-4H3
InChIKeyLMLPNBUABNCSSD-UHFFFAOYSA-N
XLogP3.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methylbutyl 3-amino-5-bromo-2-methylbenzoate
CID 114011476
3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide
CID 107872178
3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide
CID 107872350
3-amino-5-bromo-N-(3-methoxy-2-methylpropyl)-2-methylbenzamide
CID 107872634
[2-(2-methylpropylamino)-2-oxoethyl] 3-amino-5-bromo-2-methylbenzoate
CID 107873870
3-amino-5-bromo-N-(2-methoxyethyl)-2-methylbenzamide
CID 107871969
3-amino-5-bromo-N,2-dimethyl-N-prop-2-ynylbenzamide
CID 107873004
3-amino-5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107873229
2-amino-N-methoxy-6-methyl-N-(2-methylpropyl)benzamide
CID 114276922
3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 107872407
ethyl 2-[(3-amino-5-bromo-2-methylbenzoyl)-propylamino]acetate
CID 107872593
3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide
CID 107872322

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-methoxy-2-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-amino-5-bromo-N-methoxy-2-methyl-N-(2-methylpropyl)benzamide (CID 114276923) is 3-amino-5-bromo-N-methoxy-2-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-N-methoxy-2-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-amino-5-bromo-N-methoxy-2-methyl-N-(2-methylpropyl)benzamide is CON(CC(C)C)C(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of 3-amino-5-bromo-N-methoxy-2-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is LMLPNBUABNCSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-8(2)7-16(18-4)13(17)11-5-10(14)6-12(15)9(11)3/h5-6,8H,7,15H2,1-4H3.
What are the key properties of 3-amino-5-bromo-N-methoxy-2-methyl-N-(2-methylpropyl)benzamide?
3-amino-5-bromo-N-methoxy-2-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 315.21 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-methoxy-2-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 114276923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).