4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide

C13H16ClN3O3 — CID 83106686

IUPAC4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C13H16ClN3O3/c1-16-12(18)11-7-20-5-4-17(11)13(19)8-2-3-9(14)10(15)6-8/h2-3,6,11H,4-5,7,15H2,1H3,(H,16,18)
InChIKeyFBPWMQRDYDNEOS-UHFFFAOYSA-N
MW297.74 g/mol
LogP0.51
Rot. Bonds2

About 4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide

4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83106686) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide
PubChem CID83106686
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C13H16ClN3O3/c1-16-12(18)11-7-20-5-4-17(11)13(19)8-2-3-9(14)10(15)6-8/h2-3,6,11H,4-5,7,15H2,1H3,(H,16,18)
InChIKeyFBPWMQRDYDNEOS-UHFFFAOYSA-N
XLogP0.51
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-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

4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107171
N-methyl-4-(4-sulfanylbenzoyl)morpholine-3-carboxamide
CID 107034036
4-(5,6-dichloropyridine-3-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83097617
4-(3-bromo-4-fluorobenzoyl)-N-methylmorpholine-3-carboxamide
CID 107953181
4-(4-amino-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107032
4-(2-amino-4-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83098009
4-(3-amino-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83099381
methyl 4-(3-amino-4-methylbenzoyl)morpholine-3-carboxylate
CID 104774364
4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106473
4-(2-amino-5-methoxybenzoyl)-N-methylmorpholine-3-carboxamide
CID 83099504
methyl 4-(4-amino-3-methylbenzoyl)morpholine-3-carboxylate
CID 104774380
4-(5-amino-2-bromobenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106405

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide (CID 83106686) is 4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is FBPWMQRDYDNEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-16-12(18)11-7-20-5-4-17(11)13(19)8-2-3-9(14)10(15)6-8/h2-3,6,11H,4-5,7,15H2,1H3,(H,16,18).
What are the key properties of 4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide?
4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 297.74 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-chlorobenzoyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83106686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).