ethyl 3-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]benzoate

C19H19ClN2O4 — CID 22521462

IUPACethyl 3-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)N2CC(C)Oc3ccc(Cl)cc32)c1
InChIInChI=1S/C19H19ClN2O4/c1-3-25-18(23)13-5-4-6-15(9-13)21-19(24)22-11-12(2)26-17-8-7-14(20)10-16(17)22/h4-10,12H,3,11H2,1-2H3,(H,21,24)
InChIKeyOXAHGDMFFJHKIS-UHFFFAOYSA-N
MW374.82 g/mol
LogP4.34
Rot. Bonds3

About ethyl 3-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]benzoate

ethyl 3-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]benzoate (PubChem CID 22521462) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is ethyl 3-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]benzoate
PubChem CID22521462
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Nameethyl 3-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)N2CC(C)Oc3ccc(Cl)cc32)c1
InChIInChI=1S/C19H19ClN2O4/c1-3-25-18(23)13-5-4-6-15(9-13)21-19(24)22-11-12(2)26-17-8-7-14(20)10-16(17)22/h4-10,12H,3,11H2,1-2H3,(H,21,24)
InChIKeyOXAHGDMFFJHKIS-UHFFFAOYSA-N
XLogP4.34
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]benzoate with MolForge

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Related Compounds

6-chloro-N-(3,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521456
(2S)-6-chloro-N-(4-fluorophenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92701420
methyl 3-[[(2S)-6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl]amino]propanoate
CID 92682509
(2S)-6-chloro-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92668144
ethyl 3-[(2,4-dichlorophenyl)methylcarbamoylamino]benzoate
CID 3759003
ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 769408
ethyl 3-(3-chloroanilino)benzoate
CID 82535753
N-(5-chloro-2-methylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521403
ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate
CID 71508678
ethyl 3-acetamidobenzoate
CID 700589
(2S)-N-(1-adamantyl)-6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 92682505
ethyl 3-(2,3-dihydro-1,4-benzothiazine-4-carbonylamino)benzoate
CID 20907144

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 3-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]benzoate (CID 22521462) is ethyl 3-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 3-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 3-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]benzoate is CCOC(=O)c1cccc(NC(=O)N2CC(C)Oc3ccc(Cl)cc32)c1.
What is the InChIKey of ethyl 3-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]benzoate?
The InChIKey is OXAHGDMFFJHKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-3-25-18(23)13-5-4-6-15(9-13)21-19(24)22-11-12(2)26-17-8-7-14(20)10-16(17)22/h4-10,12H,3,11H2,1-2H3,(H,21,24).
What are the key properties of ethyl 3-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]benzoate?
ethyl 3-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]benzoate has a molecular weight of 374.82 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(6-chloro-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 22521462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).