4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide

C12H15BrN2O2 — CID 102851007

IUPAC4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
SMILESCCNC(=O)CNC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C12H15BrN2O2/c1-2-14-11(16)8-15-12(17)10-5-3-9(7-13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyBQSHKGDCKXWZCI-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.45
Rot. Bonds5

About 4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide

4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide (PubChem CID 102851007) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
PubChem CID102851007
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide
SMILESCCNC(=O)CNC(=O)c1ccc(CBr)cc1
InChIInChI=1S/C12H15BrN2O2/c1-2-14-11(16)8-15-12(17)10-5-3-9(7-13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyBQSHKGDCKXWZCI-UHFFFAOYSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 9224687
4-amino-N-[2-(ethylamino)-2-oxoethyl]benzamide;hydrochloride
CID 119689751
4-(bromomethyl)-N-(2-bromoprop-2-enyl)benzamide
CID 102852072
N-[2-(ethylamino)-2-oxoethyl]-4-nitrobenzamide
CID 9224321
3,5-dibromo-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 103907474
5-chloro-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 103606891
3-bromo-4-chloro-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 103841455
N-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 18145802
4-(bromomethyl)-N-(2-hydroxyethyl)benzamide
CID 82110896
4-(bromomethyl)-N-[(2R)-2-hydroxypropyl]benzamide
CID 15608280
N-[2-(ethylamino)-2-oxoethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762717
CID 153373554
CID 153373554

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide (CID 102851007) is 4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide is CCNC(=O)CNC(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The InChIKey is BQSHKGDCKXWZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-2-14-11(16)8-15-12(17)10-5-3-9(7-13)4-6-10/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide?
4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide has a molecular weight of 299.17 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[2-(ethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 102851007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).