3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide

C12H17BrN2O — CID 107872178

IUPAC3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide
SMILESCCCN(C)C(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C12H17BrN2O/c1-4-5-15(3)12(16)10-6-9(13)7-11(14)8(10)2/h6-7H,4-5,14H2,1-3H3
InChIKeyDUWZPLFGBNJWGP-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.82
Rot. Bonds3

About 3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide

3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide (PubChem CID 107872178) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide
PubChem CID107872178
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide
SMILESCCCN(C)C(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C12H17BrN2O/c1-4-5-15(3)12(16)10-6-9(13)7-11(14)8(10)2/h6-7H,4-5,14H2,1-3H3
InChIKeyDUWZPLFGBNJWGP-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-N,2-dimethyl-N-prop-2-ynylbenzamide
CID 107873004
ethyl 2-[(3-amino-5-bromo-2-methylbenzoyl)-propylamino]acetate
CID 107872593
3-amino-5-bromo-2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 114011377
3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 107872372
3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107872784
3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107872599
3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide
CID 107872322
3-amino-5-bromo-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 107872823
3-amino-5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 107872407
3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 114011338
4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide
CID 107022449
3-amino-5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 107872185

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide?
The IUPAC name of 3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide (CID 107872178) is 3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide is CCCN(C)C(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of 3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide?
The InChIKey is DUWZPLFGBNJWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-4-5-15(3)12(16)10-6-9(13)7-11(14)8(10)2/h6-7H,4-5,14H2,1-3H3.
What are the key properties of 3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide?
3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide has a molecular weight of 285.19 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide is sourced from PubChem (CID 107872178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).