2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide

C14H19BrN2O2 — CID 80957927

IUPAC2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
SMILESCc1ccc(Br)c(C(=O)NCCNC(=O)C(C)C)c1
InChIInChI=1S/C14H19BrN2O2/c1-9(2)13(18)16-6-7-17-14(19)11-8-10(3)4-5-12(11)15/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyQZJKZXAVUMLTCK-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.26
Rot. Bonds5

About 2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide

2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide (PubChem CID 80957927) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
PubChem CID80957927
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
SMILESCc1ccc(Br)c(C(=O)NCCNC(=O)C(C)C)c1
InChIInChI=1S/C14H19BrN2O2/c1-9(2)13(18)16-6-7-17-14(19)11-8-10(3)4-5-12(11)15/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyQZJKZXAVUMLTCK-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-bromobutyl)-5-methylbenzamide
CID 114312710
2-bromo-N-(3-chloropropyl)-5-methylbenzamide
CID 81111537
2-bromo-N-(2-chloropropyl)-5-methylbenzamide
CID 114296737
2-bromo-N-[2-(methanesulfonamido)ethyl]-5-methylbenzamide
CID 80980104
N-(4-aminobutyl)-2-bromo-5-methylbenzamide
CID 81109723
2-bromo-N-(6-hydroxyhexyl)-5-methylbenzamide
CID 103918853
2-bromo-N-hexyl-5-methylbenzamide
CID 80980200
2-bromo-5-methyl-N-(3-phenylbutyl)benzamide
CID 80999630
2-bromo-5-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]benzamide
CID 81002289
2-bromo-N-(2-cyanoethyl)-5-methylbenzamide
CID 81109980
2-bromo-N-(6-chlorohexyl)-5-methylbenzamide
CID 107846583
2-bromo-N-(2,2-difluoroethyl)-5-methylbenzamide
CID 81002658

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The IUPAC name of 2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide (CID 80957927) is 2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide is Cc1ccc(Br)c(C(=O)NCCNC(=O)C(C)C)c1.
What is the InChIKey of 2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
The InChIKey is QZJKZXAVUMLTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-9(2)13(18)16-6-7-17-14(19)11-8-10(3)4-5-12(11)15/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide?
2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide has a molecular weight of 327.22 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide is sourced from PubChem (CID 80957927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).