[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate

C19H20ClN3O4 — CID 2489658

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
SMILESNc1cc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)ccc1Cl
InChIInChI=1S/C19H20ClN3O4/c20-16-6-1-13(11-17(16)21)19(25)27-12-18(24)22-14-2-4-15(5-3-14)23-7-9-26-10-8-23/h1-6,11H,7-10,12,21H2,(H,22,24)
InChIKeyOVUVLPRWIGZZQW-UHFFFAOYSA-N
MW389.84 g/mol
LogP2.55
Rot. Bonds5

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate (PubChem CID 2489658) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
PubChem CID2489658
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
SMILESNc1cc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)ccc1Cl
InChIInChI=1S/C19H20ClN3O4/c20-16-6-1-13(11-17(16)21)19(25)27-12-18(24)22-14-2-4-15(5-3-14)23-7-9-26-10-8-23/h1-6,11H,7-10,12,21H2,(H,22,24)
InChIKeyOVUVLPRWIGZZQW-UHFFFAOYSA-N
XLogP2.55
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-[2-Chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 5036272
2-(2-Chlorophenyl)-2-oxoethyl 3-(acetylamino)benzoate
CID 902717
(2-Morpholin-4-yl-2-oxoethyl) 3-amino-4-chlorobenzoate
CID 2097201
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2371360
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2390717
4-chloro-N-(4-(morpholin-2-yl)phenyl)benzamide
CID 67239284
4-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]benzamide
CID 53251570
2-(2-Chlorophenyl)-2-oxoethyl 3-(propionylamino)benzoate
CID 887620
2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 3-chlorobenzoate
CID 978516
Propyl 4-chloro-3-[(4-phenylbenzoyl)amino]benzoate
CID 1732058
2-[(2-Chlorophenyl)amino]-2-oxoethyl 3-(dimethylamino)benzoate
CID 2350074
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2355337

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate (CID 2489658) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate is Nc1cc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)ccc1Cl.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate?
The InChIKey is OVUVLPRWIGZZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c20-16-6-1-13(11-17(16)21)19(25)27-12-18(24)22-14-2-4-15(5-3-14)23-7-9-26-10-8-23/h1-6,11H,7-10,12,21H2,(H,22,24).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate has a molecular weight of 389.84 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate is sourced from PubChem (CID 2489658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).