3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide

C14H19BrN2O — CID 107872784

IUPAC3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCc1c(N)cc(Br)cc1C(=O)N(C)CC1CC1C
InChIInChI=1S/C14H19BrN2O/c1-8-4-10(8)7-17(3)14(18)12-5-11(15)6-13(16)9(12)2/h5-6,8,10H,4,7,16H2,1-3H3
InChIKeyTWCBLYWRUYHNNU-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.07
Rot. Bonds3

About 3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide

3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide (PubChem CID 107872784) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
PubChem CID107872784
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
SMILESCc1c(N)cc(Br)cc1C(=O)N(C)CC1CC1C
InChIInChI=1S/C14H19BrN2O/c1-8-4-10(8)7-17(3)14(18)12-5-11(15)6-13(16)9(12)2/h5-6,8,10H,4,7,16H2,1-3H3
InChIKeyTWCBLYWRUYHNNU-UHFFFAOYSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]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

5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 65387721
3-amino-5-bromo-N,2-dimethyl-N-propylbenzamide
CID 107872178
2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 55257844
3-amino-5-bromo-N,2-dimethyl-N-prop-2-ynylbenzamide
CID 107873004
3-chloro-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-5-sulfamoylbenzamide
CID 107100990
3-amino-5-bromo-N-cyclohexyl-N,2-dimethylbenzamide
CID 107872003
2-bromo-4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107988270
3-amino-5-bromo-N-cyclopropyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 114011338
4-hydroxy-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107671595
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide
CID 63866512
3-amino-5-bromo-N,2-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107872599
3-amino-5-bromo-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]benzamide
CID 107872823

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The IUPAC name of 3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide (CID 107872784) is 3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The canonical SMILES for 3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide is Cc1c(N)cc(Br)cc1C(=O)N(C)CC1CC1C.
What is the InChIKey of 3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide?
The InChIKey is TWCBLYWRUYHNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-8-4-10(8)7-17(3)14(18)12-5-11(15)6-13(16)9(12)2/h5-6,8,10H,4,7,16H2,1-3H3.
What are the key properties of 3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide?
3-amino-5-bromo-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide has a molecular weight of 311.22 g/mol, XLogP of 3.07, 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-[(2-methylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 107872784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).