4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide

C13H15BrN2O3 — CID 102852003

IUPAC4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1C(=O)c1ccc(CBr)cc1
InChIInChI=1S/C13H15BrN2O3/c14-7-9-1-3-10(4-2-9)13(18)16-5-6-19-8-11(16)12(15)17/h1-4,11H,5-8H2,(H2,15,17)
InChIKeyNHQJXYSEGLXBTC-UHFFFAOYSA-N
MW327.18 g/mol
LogP0.91
Rot. Bonds3

About 4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide

4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide (PubChem CID 102852003) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide
PubChem CID102852003
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide
SMILESNC(=O)C1COCCN1C(=O)c1ccc(CBr)cc1
InChIInChI=1S/C13H15BrN2O3/c14-7-9-1-3-10(4-2-9)13(18)16-5-6-19-8-11(16)12(15)17/h1-4,11H,5-8H2,(H2,15,17)
InChIKeyNHQJXYSEGLXBTC-UHFFFAOYSA-N
XLogP0.91
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorobenzoyl)morpholine-3-carboxamide
CID 83093019
4-(naphthalene-2-carbonyl)morpholine-3-carboxamide
CID 119033707
4-(2-oxo-1H-pyridine-4-carbonyl)morpholine-3-carboxamide
CID 103889379
6-(3-carbamoylmorpholine-4-carbonyl)pyridine-3-carboxylic acid
CID 83096346
(3R)-4-[4-(methylsulfanylmethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513267
4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide
CID 83095785
4-(4-amino-3-methoxybenzoyl)morpholine-3-carboxamide
CID 104783187
4-(3-amino-4-ethoxybenzoyl)morpholine-3-carboxamide
CID 83094011
4-(4-amino-2-methylbenzoyl)morpholine-3-carboxamide
CID 83094286
[4-(aminomethyl)phenyl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 119293249
4-(1,2,3,4-tetrahydroquinoline-6-carbonyl)morpholine-3-carboxamide
CID 83097717
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605

Frequently Asked Questions

What is the IUPAC name of 4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide?
The IUPAC name of 4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide (CID 102852003) is 4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide is NC(=O)C1COCCN1C(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide?
The InChIKey is NHQJXYSEGLXBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-7-9-1-3-10(4-2-9)13(18)16-5-6-19-8-11(16)12(15)17/h1-4,11H,5-8H2,(H2,15,17).
What are the key properties of 4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide?
4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide has a molecular weight of 327.18 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(bromomethyl)benzoyl]morpholine-3-carboxamide is sourced from PubChem (CID 102852003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).