3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide

C14H19BrN2O — CID 107873151

IUPAC3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NC(C)C1CCC1
InChIInChI=1S/C14H19BrN2O/c1-8-12(6-11(15)7-13(8)16)14(18)17-9(2)10-4-3-5-10/h6-7,9-10H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyGORFZRDRDDSZSC-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.26
Rot. Bonds3

About 3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide

3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide (PubChem CID 107873151) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide
PubChem CID107873151
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide
SMILESCc1c(N)cc(Br)cc1C(=O)NC(C)C1CCC1
InChIInChI=1S/C14H19BrN2O/c1-8-12(6-11(15)7-13(8)16)14(18)17-9(2)10-4-3-5-10/h6-7,9-10H,3-5,16H2,1-2H3,(H,17,18)
InChIKeyGORFZRDRDDSZSC-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.26
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

2-amino-3,5-dibromo-N-(1-cyclopropylethyl)benzamide
CID 89420130
3-amino-5-bromo-N-butan-2-yl-2-methylbenzamide
CID 107871970
5-bromo-N-(1-cyclohexylethyl)-2-methylbenzamide
CID 65309722
2,4-dibromo-N-(1-cyclobutylethyl)benzamide
CID 103883323
3-amino-5-bromo-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzamide
CID 114011367
3-amino-5-bromo-2-methyl-N-(6-methylheptan-2-yl)benzamide
CID 107872350
3-amino-5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbenzamide
CID 107872231
3-chloro-N-(1-cyclobutylethyl)-2-methyl-5-sulfamoylbenzamide
CID 107101061
5-bromo-N-(1-cyclopropylethyl)-2-methylbenzamide
CID 65306796
2-amino-N-[(1S)-1-cyclopentylethyl]-5-fluorobenzamide
CID 81388369
2-bromo-N-(1-cyclopentylethyl)-5-methylbenzamide
CID 81002782
3-amino-5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)-2-methylbenzamide
CID 107872505

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide?
The IUPAC name of 3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide (CID 107873151) is 3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide is Cc1c(N)cc(Br)cc1C(=O)NC(C)C1CCC1.
What is the InChIKey of 3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide?
The InChIKey is GORFZRDRDDSZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-8-12(6-11(15)7-13(8)16)14(18)17-9(2)10-4-3-5-10/h6-7,9-10H,3-5,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide?
3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide has a molecular weight of 311.22 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(1-cyclobutylethyl)-2-methylbenzamide is sourced from PubChem (CID 107873151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).