3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide

C14H19BrN2O — CID 107872322

IUPAC3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(CC)C(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C14H19BrN2O/c1-5-17(8-9(2)3)14(18)12-6-11(15)7-13(16)10(12)4/h6-7H,2,5,8,16H2,1,3-4H3
InChIKeyAQZNDYCOSFHCGP-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.38
Rot. Bonds4

About 3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide

3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide (PubChem CID 107872322) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide
PubChem CID107872322
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(CC)C(=O)c1cc(Br)cc(N)c1C
InChIInChI=1S/C14H19BrN2O/c1-5-17(8-9(2)3)14(18)12-6-11(15)7-13(16)10(12)4/h6-7H,2,5,8,16H2,1,3-4H3
InChIKeyAQZNDYCOSFHCGP-UHFFFAOYSA-N
XLogP3.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(3-amino-5-bromo-2-methylbenzoyl)-propylamino]acetate
CID 107872593
3-amino-5-bromo-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 107872306
3-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 107872372
3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide
CID 107872178
3-amino-5-bromo-2-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 114011377
3-amino-4-bromo-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 61117454
3-amino-5-bromo-N,2-dimethyl-N-prop-2-ynylbenzamide
CID 107873004
5-bromo-N-ethyl-N-(2-methylprop-2-enyl)thiophene-3-carboxamide
CID 43424494
3,5-dibromo-2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid
CID 63112329
3-amino-5-bromo-N-methoxy-2-methyl-N-(2-methylpropyl)benzamide
CID 114276923
3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 114011338
3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107872784

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide (CID 107872322) is 3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide is C=C(C)CN(CC)C(=O)c1cc(Br)cc(N)c1C.
What is the InChIKey of 3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is AQZNDYCOSFHCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-5-17(8-9(2)3)14(18)12-6-11(15)7-13(16)10(12)4/h6-7H,2,5,8,16H2,1,3-4H3.
What are the key properties of 3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide?
3-amino-5-bromo-N-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 311.22 g/mol, XLogP of 3.38, 4 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-ethyl-2-methyl-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 107872322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).