4-bromo-N-(2-cyanoethoxymethyl)benzamide

C11H11BrN2O2 — CID 71407041

IUPAC4-bromo-N-(2-cyanoethoxymethyl)benzamide
SMILESN#CCCOCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O2/c12-10-4-2-9(3-5-10)11(15)14-8-16-7-1-6-13/h2-5H,1,7-8H2,(H,14,15)
InChIKeyNZLGSYANWDPUKC-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.07
Rot. Bonds5

About 4-bromo-N-(2-cyanoethoxymethyl)benzamide

4-bromo-N-(2-cyanoethoxymethyl)benzamide (PubChem CID 71407041) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 4-bromo-N-(2-cyanoethoxymethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-cyanoethoxymethyl)benzamide
PubChem CID71407041
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name4-bromo-N-(2-cyanoethoxymethyl)benzamide
SMILESN#CCCOCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H11BrN2O2/c12-10-4-2-9(3-5-10)11(15)14-8-16-7-1-6-13/h2-5H,1,7-8H2,(H,14,15)
InChIKeyNZLGSYANWDPUKC-UHFFFAOYSA-N
XLogP2.07
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

cyanomethyl 2-[(4-bromobenzoyl)amino]acetate
CID 9364242
bis[[(4-bromobenzoyl)amino]methoxy]-oxophosphanium
CID 122699134
4-bromo-N-(chloromethyl)benzamide
CID 29079018
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide
CID 11783188
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
4-bromo-N-(2-oxopropyl)benzamide
CID 64997331
3,5-dibromo-N-(2-cyanoethyl)benzamide
CID 107168327
4-bromo-N-[(dimethylamino)methyl]benzamide
CID 86084577
4-bromo-N-(2,2-difluoroethyl)benzamide
CID 79079579
4-bromo-N-(3-methoxy-2-methylpropyl)benzamide
CID 48685252
N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 108539326

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-cyanoethoxymethyl)benzamide?
The IUPAC name of 4-bromo-N-(2-cyanoethoxymethyl)benzamide (CID 71407041) is 4-bromo-N-(2-cyanoethoxymethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-cyanoethoxymethyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-cyanoethoxymethyl)benzamide is N#CCCOCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-cyanoethoxymethyl)benzamide?
The InChIKey is NZLGSYANWDPUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-10-4-2-9(3-5-10)11(15)14-8-16-7-1-6-13/h2-5H,1,7-8H2,(H,14,15).
What are the key properties of 4-bromo-N-(2-cyanoethoxymethyl)benzamide?
4-bromo-N-(2-cyanoethoxymethyl)benzamide has a molecular weight of 283.12 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-cyanoethoxymethyl)benzamide is sourced from PubChem (CID 71407041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).