4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide

C15H19ClN2O3 — CID 83098794

IUPAC4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1cccc(CCl)c1
InChIInChI=1S/C15H19ClN2O3/c1-2-17-14(19)13-10-21-7-6-18(13)15(20)12-5-3-4-11(8-12)9-16/h3-5,8,13H,2,6-7,9-10H2,1H3,(H,17,19)
InChIKeyFLAAESZJPIQDRW-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.40
Rot. Bonds4

About 4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide

4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide (PubChem CID 83098794) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide
PubChem CID83098794
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1cccc(CCl)c1
InChIInChI=1S/C15H19ClN2O3/c1-2-17-14(19)13-10-21-7-6-18(13)15(20)12-5-3-4-11(8-12)9-16/h3-5,8,13H,2,6-7,9-10H2,1H3,(H,17,19)
InChIKeyFLAAESZJPIQDRW-UHFFFAOYSA-N
XLogP1.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide
CID 83100853
4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 107953173
4-(3-amino-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83099381
4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide
CID 83098199
4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 104852955
4-(2-chloro-5-sulfanylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 107034008
4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83098499
(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513663
methyl 4-(3-chlorobenzoyl)morpholine-3-carboxylate
CID 113247579
4-(2,5-dichloropyridine-4-carbonyl)-N-ethylmorpholine-3-carboxamide
CID 114918798
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
N-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide
CID 107034016

Frequently Asked Questions

What is the IUPAC name of 4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide (CID 83098794) is 4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1C(=O)c1cccc(CCl)c1.
What is the InChIKey of 4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide?
The InChIKey is FLAAESZJPIQDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-17-14(19)13-10-21-7-6-18(13)15(20)12-5-3-4-11(8-12)9-16/h3-5,8,13H,2,6-7,9-10H2,1H3,(H,17,19).
What are the key properties of 4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide?
4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83098794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).