2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide

C14H18BrNO2 — CID 103773500

IUPAC2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NCCOCC2CC2)c1
InChIInChI=1S/C14H18BrNO2/c1-10-2-5-13(15)12(8-10)14(17)16-6-7-18-9-11-3-4-11/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,16,17)
InChIKeyXYMLDAKSSVCSJI-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.91
Rot. Bonds6

About 2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide

2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide (PubChem CID 103773500) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide
PubChem CID103773500
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide
SMILESCc1ccc(Br)c(C(=O)NCCOCC2CC2)c1
InChIInChI=1S/C14H18BrNO2/c1-10-2-5-13(15)12(8-10)14(17)16-6-7-18-9-11-3-4-11/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,16,17)
InChIKeyXYMLDAKSSVCSJI-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 115297054
2-bromo-N-[2-(2,2-difluoroethoxy)ethyl]-5-methylbenzamide
CID 103082770
4-bromo-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 46419484
2-bromo-N-[(3-chlorocyclopentyl)methyl]-5-methylbenzamide
CID 114146890
2-bromo-N-(3-chloropropyl)-5-methylbenzamide
CID 81111537
2-bromo-5-methyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 80957927
2-bromo-N-(6-hydroxyhexyl)-5-methylbenzamide
CID 103918853
N-(4-aminobutyl)-2-bromo-5-methylbenzamide
CID 81109723
2-bromo-N-hexyl-5-methylbenzamide
CID 80980200
N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-4-methoxybenzamide
CID 56783961
N-[2-(2-aminophenoxy)ethyl]-2-bromo-5-methylbenzamide
CID 81110880
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide?
The IUPAC name of 2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide (CID 103773500) is 2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide.
What is the SMILES notation for 2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide?
The canonical SMILES for 2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide is Cc1ccc(Br)c(C(=O)NCCOCC2CC2)c1.
What is the InChIKey of 2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide?
The InChIKey is XYMLDAKSSVCSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-10-2-5-13(15)12(8-10)14(17)16-6-7-18-9-11-3-4-11/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,16,17).
What are the key properties of 2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide?
2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide has a molecular weight of 312.21 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-methylbenzamide is sourced from PubChem (CID 103773500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).