2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide

C11H13BrN2O — CID 170699654

IUPAC2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide
SMILESCc1cc(Br)c(N)c(C(=O)NC2CC2)c1
InChIInChI=1S/C11H13BrN2O/c1-6-4-8(10(13)9(12)5-6)11(15)14-7-2-3-7/h4-5,7H,2-3,13H2,1H3,(H,14,15)
InChIKeyRXNSRCGBPKMOKS-UHFFFAOYSA-N
MW269.14 g/mol
LogP2.23
Rot. Bonds2

About 2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide

2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide (PubChem CID 170699654) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is 2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide
PubChem CID170699654
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide
SMILESCc1cc(Br)c(N)c(C(=O)NC2CC2)c1
InChIInChI=1S/C11H13BrN2O/c1-6-4-8(10(13)9(12)5-6)11(15)14-7-2-3-7/h4-5,7H,2-3,13H2,1H3,(H,14,15)
InChIKeyRXNSRCGBPKMOKS-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-cyclopropyl-2-fluoro-5-methylbenzamide
CID 165436206
2-amino-5-chloro-N-cyclopropyl-3-methylbenzamide
CID 121222069
2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 141105148
2-bromo-5-methyl-N-piperidin-4-ylbenzamide
CID 81111210
2-bromo-5-methyl-N-(1-oxothian-4-yl)benzamide
CID 104580819
5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102704817
5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 102704816
5-bromo-N-cyclopropyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393053
N-(4-aminocyclohexyl)-3-bromo-5-methylbenzamide
CID 104850911
N-(4-ethylcyclohexyl)-2-hydrazinyl-5-methylbenzamide
CID 62511302
2-bromo-N-cyclopent-3-en-1-yl-4-methylbenzamide
CID 115766037
ethyl 4-[(2-bromobenzoyl)amino]cyclohexane-1-carboxylate
CID 60932818

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide?
The IUPAC name of 2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide (CID 170699654) is 2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide.
What is the SMILES notation for 2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide?
The canonical SMILES for 2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide is Cc1cc(Br)c(N)c(C(=O)NC2CC2)c1.
What is the InChIKey of 2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide?
The InChIKey is RXNSRCGBPKMOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-6-4-8(10(13)9(12)5-6)11(15)14-7-2-3-7/h4-5,7H,2-3,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide?
2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide has a molecular weight of 269.14 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromo-N-cyclopropyl-5-methylbenzamide is sourced from PubChem (CID 170699654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).