N-(4-chloro-2-iodophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C15H12ClIN2O2 — CID 107625509

IUPACN-(4-chloro-2-iodophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)C1CNc2ccccc2O1
InChIInChI=1S/C15H12ClIN2O2/c16-9-5-6-11(10(17)7-9)19-15(20)14-8-18-12-3-1-2-4-13(12)21-14/h1-7,14,18H,8H2,(H,19,20)
InChIKeyXXBIYRIZRHGHJM-UHFFFAOYSA-N
MW414.63 g/mol
LogP3.76
Rot. Bonds2

About N-(4-chloro-2-iodophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-(4-chloro-2-iodophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 107625509) has the molecular formula C15H12ClIN2O2 and a molecular weight of 414.63 g/mol. Its IUPAC name is N-(4-chloro-2-iodophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-iodophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID107625509
Molecular FormulaC15H12ClIN2O2
Molecular Weight414.63 g/mol
Exact Mass413.96
IUPAC NameN-(4-chloro-2-iodophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1I)C1CNc2ccccc2O1
InChIInChI=1S/C15H12ClIN2O2/c16-9-5-6-11(10(17)7-9)19-15(20)14-8-18-12-3-1-2-4-13(12)21-14/h1-7,14,18H,8H2,(H,19,20)
InChIKeyXXBIYRIZRHGHJM-UHFFFAOYSA-N
XLogP3.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.63
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43100505
N-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24701248
N-(4-fluoro-3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 62811648
N-(2-chloro-6-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 66256274
N-(3-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24694997
(2S)-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carbohydrazide
CID 1485704
(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 7020375
N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 116786757
N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 79240195
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
N-(1H-imidazol-2-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 55215106
N-(3-hydroxy-4-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 107701393

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-iodophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-iodophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 107625509) is N-(4-chloro-2-iodophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-iodophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-iodophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is O=C(Nc1ccc(Cl)cc1I)C1CNc2ccccc2O1.
What is the InChIKey of N-(4-chloro-2-iodophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is XXBIYRIZRHGHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIN2O2/c16-9-5-6-11(10(17)7-9)19-15(20)14-8-18-12-3-1-2-4-13(12)21-14/h1-7,14,18H,8H2,(H,19,20).
What are the key properties of N-(4-chloro-2-iodophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-(4-chloro-2-iodophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 414.63 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-iodophenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 107625509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).