2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide

C14H17BrN2O — CID 79723311

IUPAC2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C14H17BrN2O/c15-10-3-6-12(13(16)7-10)14(18)17(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8,16H2
InChIKeyFCKBCWCFTNKTNQ-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.05
Rot. Bonds4

About 2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide

2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide (PubChem CID 79723311) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide
PubChem CID79723311
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide
SMILESNc1cc(Br)ccc1C(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C14H17BrN2O/c15-10-3-6-12(13(16)7-10)14(18)17(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8,16H2
InChIKeyFCKBCWCFTNKTNQ-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)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

2-amino-4-bromo-N-(cyclopropylmethyl)-N-propylbenzamide
CID 79714030
2-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 79722133
2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 79720140
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357
2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
CID 79705171
2-amino-4-bromo-N-cyclopentyl-N-prop-2-enylbenzamide
CID 79719350
5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide
CID 102705640
2-amino-4-bromo-N-cyclopropyl-N-(pyridin-2-ylmethyl)benzamide
CID 79704107
5-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-2-fluorobenzamide
CID 60956316
3-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1-benzothiophene-2-carboxamide
CID 114896646
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2-hydroxybenzamide
CID 113386511
2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 114193974

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide (CID 79723311) is 2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide is Nc1cc(Br)ccc1C(=O)N(CC1CC1)C1CC1.
What is the InChIKey of 2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide?
The InChIKey is FCKBCWCFTNKTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c15-10-3-6-12(13(16)7-10)14(18)17(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8,16H2.
What are the key properties of 2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide?
2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide has a molecular weight of 309.21 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide is sourced from PubChem (CID 79723311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).