5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate

C18H17Cl2N2O3- — CID 7326704

IUPAC5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate
SMILESO=C([O-])c1cc(NCc2c(Cl)cccc2Cl)ccc1N1CCOCC1
InChIInChI=1S/C18H18Cl2N2O3/c19-15-2-1-3-16(20)14(15)11-21-12-4-5-17(13(10-12)18(23)24)22-6-8-25-9-7-22/h1-5,10,21H,6-9,11H2,(H,23,24)/p-1
InChIKeyYPRQOUZKCLVUAM-UHFFFAOYSA-M
MW380.25 g/mol
LogP2.81
Rot. Bonds5

About 5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate

5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate (PubChem CID 7326704) has the molecular formula C18H17Cl2N2O3- and a molecular weight of 380.25 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate.

Molecular Properties

Compound Name5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate
PubChem CID7326704
Molecular FormulaC18H17Cl2N2O3-
Molecular Weight380.25 g/mol
Exact Mass379.06
IUPAC Name5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate
SMILESO=C([O-])c1cc(NCc2c(Cl)cccc2Cl)ccc1N1CCOCC1
InChIInChI=1S/C18H18Cl2N2O3/c19-15-2-1-3-16(20)14(15)11-21-12-4-5-17(13(10-12)18(23)24)22-6-8-25-9-7-22/h1-5,10,21H,6-9,11H2,(H,23,24)/p-1
InChIKeyYPRQOUZKCLVUAM-UHFFFAOYSA-M
XLogP2.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-methylphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 7325755
5-[(2-ethoxyphenyl)methylamino]-2-morpholin-4-ylbenzoate
CID 7011815
5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoic acid
CID 4727900
3-chloro-N-[(2-chlorophenyl)methyl]-4-morpholin-4-ylaniline
CID 18778325
methyl 2-morpholin-4-yl-5-[(2,4,6-trimethylphenyl)methylamino]benzoate
CID 162656590
methyl 5-(benzylamino)-2-morpholin-4-ylbenzoate
CID 2032115
methyl 5-[(2,6-dichlorobenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 2809863
methyl 2-morpholin-4-yl-5-(naphthalen-1-ylmethylamino)benzoate
CID 2035033
2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 2433198
5-[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylamino]-2-morpholin-4-ylbenzoic acid
CID 4727944
N-[[2-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-chloro-4-morpholin-4-ylaniline
CID 66542853
2-morpholin-4-yl-5-[(4-phenylmethoxyphenyl)methylamino]benzoic acid
CID 4727902

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate?
The IUPAC name of 5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate (CID 7326704) is 5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate.
What is the SMILES notation for 5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate?
The canonical SMILES for 5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate is O=C([O-])c1cc(NCc2c(Cl)cccc2Cl)ccc1N1CCOCC1.
What is the InChIKey of 5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate?
The InChIKey is YPRQOUZKCLVUAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H18Cl2N2O3/c19-15-2-1-3-16(20)14(15)11-21-12-4-5-17(13(10-12)18(23)24)22-6-8-25-9-7-22/h1-5,10,21H,6-9,11H2,(H,23,24)/p-1.
What are the key properties of 5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate?
5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate has a molecular weight of 380.25 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenyl)methylamino]-2-morpholin-4-ylbenzoate is sourced from PubChem (CID 7326704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).